Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2551936

C/C(=N/c1c(C)cccc1C)c1cccc(/C(C)=N/c2ccccc2C)n1.Cl.[Fe]

nearest known ligand 0.42

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 Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 10/20 0.42
ESR2 known ✓ Q92731 2/20 0.37
ESR1 known ✓ P03372 1/20 0.37
GRIN2D known ✓ O15399 6/20 0.36
GRIN3B known ✓ O60391 6/20 0.36
GRIN1 known ✓ Q05586 6/20 0.36
GRIN2A known ✓ Q12879 6/20 0.36
GRIN2B known ✓ Q13224 6/20 0.36
GRIN2C known ✓ Q14957 6/20 0.36
GRIN3A known ✓ Q8TCU5 6/20 0.36
HSP90AA1 known ✓ P07900 1/20 0.32
GAA known ✓ P10253 1/20 0.31
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
EBP Q15125 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL2552266 0.97 SIGMAR1 (0.41) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL12266826 0.97 SIGMAR1 (0.41) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL2552264 0.97 SIGMAR1 (0.41) SIGMAR1ESR2ESR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL2551938 0.94 SIGMAR1 (0.40) SIGMAR1ESR2ESR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1539024 0.94 SIGMAR1 (0.46) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL5606687 0.92 SIGMAR1 (0.45) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL808900 0.91 SIGMAR1 (0.46) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL2229008 0.91 SIGMAR1 (0.46) SIGMAR1ESR2ESR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL8091207 0.91 SIGMAR1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5588687 0.89 SIGMAR1 (0.45) SIGMAR1ESR2ESR1GRIN2DGRIN3B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175104-B2 Ethylene polymerization process and polyolefin E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-03 US disclosed
US-8916664-B2 Olefin polymerization process E I DU PONT DE NEMOURS AND COMPANY (US) 2014-12-23 US disclosed
EP-2552973-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS E.I. Du Pont De Nemours And Company (US) 2013-02-06 EP disclosed
EP-2552972-A1 IMPROVED ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E.I. Du Pont De Nemours And Company (US) 2013-02-06 EP disclosed
US-20120309916-A1 OLEFIN POLYMERIZATION PROCESS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20120309915-A1 ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
WO-2011126787-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed
WO-2011126784-A1 IMPROVED ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed