Netropsin

Netropsin

SCHEMBL4953090

Cl.Cl.Cn1cc(NC(=O)c2cc(NC(=O)CNC(=N)N)cn2C)cc1C(=O)NCCC(=N)N

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Netropsin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 known ✓ P11387 2/20 0.72
ESR1 known ✓ P03372 13/20 0.70
ESR2 known ✓ Q92731 13/20 0.70
HDAC1 known ✓ Q13547 2/20 0.40
HDAC2 known ✓ Q92769 2/20 0.40
HDAC8 known ✓ Q9BY41 2/20 0.40
ERBB2 known ✓ P04626 1/20 0.34
PRKCA known ✓ P17252 1/20 0.34
KDM4E B2RXH2 1/20 0.72
POLB P06746 1/20 0.72
MAPT P10636 1/20 0.72
HIF1A Q16665 1/20 0.72
HRAS P01112 14/20 0.70

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Netropsin SCHEMBL10408939 1.00 TOP1 (0.72) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL951644 0.99 TOP1 (0.71) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL197747 0.99 TOP1 (0.74) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL14267762 0.99 TOP1 (0.74) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL12348338 0.97 TOP1 (0.70) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL12348157 0.93 TOP1 (0.65) TOP1KDM4EPOLBMAPTHIF1A
SCHEMBL19288091 0.90 TOP1 (0.62) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL4284668 0.88 TOP1 (0.60) TOP1KDM4EPOLBMAPTHIF1A
Hydrochloric Acid SCHEMBL10693314 0.87 TOP1 (0.72) TOP1KDM4EPOLBMAPTHIF1A
Netropsin SCHEMBL4955084 0.87 TOP1 (0.56) TOP1KDM4EPOLBMAPTHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277130-A1 Removing aurintricarboxylic acid (ATA), a reverse transcriptase inhibitor, from a blood sample containing ATA and a chaotropic salt for nucleic acid extraction by using urea at a pH of about 8.0; high speed analysis by creating a fibrin aggregate to confine pathogens to facilitate pathogen DNA extraction UNIVERSITY OF SOUTH FLORIDA 2005-12-15 US claimed
US-20240417785-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY MINOR GROOVE BINDING MOIETIES ROCHE SEQUENCING SOLUTIONS INC (US) 2024-12-19 US disclosed
EP-3735477-B1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY MINOR GROOVE BINDING MOIETIES ROCHE DIAGNOSTICS GMBH (DE) 2024-10-30 EP disclosed
US-20240050943-A1 MULTI-VOLUME MICROCHAMBER-BASED MICROFLUIDIC PLATFORM AND USE THEREOF CORNELL UNIVERSITY 2024-02-15 US disclosed
US-20240050950-A1 GRADIENT-BASED MICROFLUIDIC CIRCUIT, DEVICE, AND METHOD FOR PERFORMING AN ASSAY CORNELL UNIVERSITY 2024-02-15 US disclosed
WO-2023201345-A2 COMPOSITIONS AND METHODS FOR TREATING BACTERIAL DISEASE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-10-19 WO disclosed
WO-2022140599-A1 MULTI-VOLUME MICROCHAMBER-BASED MICROFLUIDIC PLATFORM AND USE THEREOF CORNELL UNIVERSITY (US) 2022-06-30 WO disclosed
WO-2022140585-A1 GRADIENT-BASED MICROFLUIDIC CIRCUIT, DEVICE, AND METHOD FOR PERFORMING AN ASSAY CORNELL UNIVERSITY (US) 2022-06-30 WO disclosed
US-20210139966-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY MINOR GROOVE BINDING MOIETIES Roche Sequencing Solutions, Inc. 2021-05-13 US disclosed
EP-3735477-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY MINOR GROOVE BINDING MOIETIES Stratos Genomics Inc. (US) 2020-11-11 EP disclosed
US-8465966-B2 Post protein hydrolysis removal of a potent ribonuclease inhibitor and the enzymatic capture of DNA UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-18 US disclosed
US-20130130302-A1 POST PROTEIN HYDROLYSIS REMOVAL OF A POTENT RIBONUCLEASE INHIBITOR AND THE ENZYMATIC CAPTURE OF DNA UNIVERSITY OF SOUTH FLORIDA (US) 2013-05-23 US disclosed
US-20130130271-A1 POST PROTEIN HYDROLYSIS REMOVAL OF A POTENT RIBONUCLEASE INHIBITOR AND THE ENZYMATIC CAPTURE OF DNA UNIVERSITY OF SOUTH FLORIDA (US) 2013-05-23 US disclosed
US-20130130234-A1 POST PROTEIN HYDROLYSIS REMOVAL OF A POTENT RIBONUCLEASE INHIBITOR AND THE ENZYMATIC CAPTURE OF DNA UNIVERSITY OF SOUTH FLORIDA (US) 2013-05-23 US disclosed
US-20130122509-A1 POST PROTEIN HYDROLYSIS REMOVAL OF A POTENT RIBONUCLEASE INHIBITOR AND THE ENZYMATIC CAPTURE OF DNA UNIVERSITY OF SOUTH FLORIDA (US) 2013-05-16 US disclosed
US-20130115687-A1 POST PROTEIN HYDROLYSIS REMOVAL OF A POTENT RIBONUCLEASE INHIBITOR AND THE ENZYMATIC CAPTURE OF DNA UNIVERSITY OF SOUTH FLORIDA (US) 2013-05-09 US disclosed
US-20130109885-A1 POST PROTEIN HYDROLYSIS REMOVAL OF A POTENT RIBONUCLEASE INHIBITOR AND THE ENZYMATIC CAPTURE OF DNA UNIVERSITY OF SOUTH FLORIDA (US) 2013-05-02 US disclosed
US-20120164714-A1 Post Protein Hydrolysis Removal of a Potent Ribonuclease Inhibitor and the Enzymatic Capture of DNA UNIVERSITY OF SOUTH FLORIDA (US) 2012-06-28 US disclosed
US-7416843-B2 Removing aurintricarboxylic acid (ATA), a reverse transcriptase inhibitor, from a blood sample containing ATA and a chaotropic salt for nucleic acid extraction by using urea and diethylenetriaminepentaacetate; high speed analysis by aggregationg fibrin to confine pathogens to extract pathogen DNA UNIVERSITY OF SOUTH FLORIDA (US) 2008-08-26 US disclosed
US-20050277130-A1 Removing aurintricarboxylic acid (ATA), a reverse transcriptase inhibitor, from a blood sample containing ATA and a chaotropic salt for nucleic acid extraction by using urea at a pH of about 8.0; high speed analysis by creating a fibrin aggregate to confine pathogens to facilitate pathogen DNA extraction UNIVERSITY OF SOUTH FLORIDA 2005-12-15 US disclosed