SCHEMBL37767

SCHEMBL37767

O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)[O-])cc5)n4)ccc3S(=O)(=O)[O-])c(O)c12)c1ccccc1.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
P2RY4 known ✓ P51582 4/20 0.40
THRB known ✓ P10828 1/20 0.40
CA12 known ✓ O43570 2/20 0.38
CA1 known ✓ P00915 2/20 0.38
CA2 known ✓ P00918 2/20 0.38
P2RY2 known ✓ P41231 3/20 0.36
P2RY6 known ✓ Q15077 3/20 0.36
P2RY12 known ✓ Q9H244 3/20 0.36
FUT8 Q9BYC5 1/20 0.56
ENPP2 Q13822 1/20 0.51
CARM1 Q86X55 1/20 0.46
PRMT1 Q99873 1/20 0.46
POLB P06746 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GRK2 P25098 1/20 0.44
PLEC Q15149 1/20 0.44
USP2 O75604 2/20 0.41
PTPN1 P18031 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL30080398 1.00 FUT8 (0.56) FUT8ENPP2CARM1PRMT1POLB
SCHEMBL18785035 0.87 FUT8 (0.72) FUT8ENPP2CARM1PRMT1KMT2A
SCHEMBL11987206 0.85 FUT8 (0.55) FUT8ENPP2CARM1PRMT1USP2
SCHEMBL4409511 0.84 FUT8 (0.72) FUT8ENPP2CARM1PRMT1POLB
SCHEMBL4409516 0.84 FUT8 (0.72) FUT8ENPP2CARM1PRMT1POLB
SCHEMBL29393807 0.84 FUT8 (0.72) FUT8ENPP2CARM1PRMT1POLB
SCHEMBL11986735 0.84 FUT8 (0.54) FUT8ENPP2CARM1PRMT1APEX1
SCHEMBL18775365 0.80 FUT8 (0.59) FUT8ENPP2CARM1PRMT1USP2
SCHEMBL29663889 0.80 FUT8 (0.67) FUT8ENPP2CARM1PRMT1POLB
SCHEMBL30398956 0.79 PRMT1 (0.53) FUT8ENPP2CARM1PRMT1POLB

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

Appears in 4906 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725227-B2 Devices and methods for examining drug effects on microorganisms ESSENLIX CORPORATION (US) 2023-08-15 US claimed
EP-2900836-B1 TWO-PRIMER PCR FOR MICRORNA MULTIPLEX ASSAY CEPHEID (US) 2023-05-10 EP claimed
US-20220237930-A1 CELL AGE CLASSIFICATION AND DRUG SCREENING FOUNTAIN THERAPEUTICS INC (US) 2022-07-28 US claimed
US-20210275693-A1 MODIFIED WOUND DRESSINGS CONVATEC TECHNOLOGIES INC. 2021-09-09 US claimed
US-10961571-B2 Polymerase assay with a FRET substrate Life Technologies Corporation (US) 2021-03-30 US claimed
US-20200399675-A1 DEVICES AND METHODS FOR EXAMINING DRUG EFFECTS ON MICROORGANISMS ESSENLIX CORPORATION (US) 2020-12-24 US claimed
US-10605805-B2 Device and system for analyzing a sample, particularly blood, as well as methods of using the same ESSENLIX CORPORATION (US) 2020-03-31 US claimed
US-20190307904-A1 MODIFIED WOUND DRESSINGS CONVATEC TECHNOLOGIES INC (US) 2019-10-10 US claimed
EP-3541960-A2 METHODS AND DEVICES FOR DETECTING HEPATITIS C VIRUS Quest Diagnostics Investments LLC (US) 2019-09-25 EP claimed
US-20190276904-A1 METHODS AND DEVICES FOR DETECTING HEPATITIS C VIRUS QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2019-09-12 US claimed
WO-1998002449-A1 NUCLEIC ACID AMPLIFICATION OLIGONUCLEOTIDES WITH MOLECULAR ENERGY TRANSFER LABELS AND METHODS BASED THEREON ONCOR, INC. (US) 1998-01-22 WO claimed
US-5565322-A PHOTOELECTRIC DEVICES; DETECTORS; MEDICAL DIAGNOSIS NANOGEN, INC. (US) 1996-10-15 US claimed
US-5532129-A Self-organizing molecular photonic structures based on chromophore- and fluorophore-containing polynucleotides and methods of their use ENTERPRISE PARTNERS II, L.P. (US) 1996-07-02 US claimed
US-5523214-A MIXING METHYLENE BLUE, RESAZURIN AND REDOX STABILIZERS INTO SAMPLES FOR COLOR CHANGES WHEN BACTERIA ARE PRESENT, FOR TESTING THEIR SENSITIVITY TO ANTIBIOTICS BIOTEST AKTIENGESELLSCHAFT (DE) 1996-06-04 US claimed
EP-0620822-A4 HYBRIDIZATION OF POLYNUCLEOTIDES CONJUGATED WITH CHROMOPHORES AND FLUOROPHORES TO GENERATE DONOR-TO-DONOR ENERGY TRANSFER SYSTEM. NANOTRONICS INC (US) 1996-01-10 EP claimed
EP-0625581-A1 Method for the optical detection of microorganisms, their identification and antibiotic sensitivity testing using a redox-indicator system BIOTEST AG (DE) 1994-11-23 EP claimed
EP-0620822-A1 HYBRIDIZATION OF POLYNUCLEOTIDES CONJUGATED WITH CHROMOPHORES AND FLUOROPHORES TO GENERATE DONOR-TO-DONOR ENERGY TRANSFER SYSTEM NANOTRONICS, INC. (US) 1994-10-26 EP claimed
WO-1993009128-A1 HYBRIDIZATION OF POLYNUCLEOTIDES CONJUGATED WITH CHROMOPHORES AND FLUOROPHORES TO GENERATE DONOR-TO-DONOR ENERGY TRANSFER SYSTEM NANOTRONICS, INC. (US) 1993-05-13 WO claimed
EP-0223501-A2 Waterfast ink jet compositions and process XEROX CORPORATION (US) 1987-05-27 EP claimed
US-4664708-A POLYMERIC DYE XEROX CORPORATION (US) 1987-05-12 US claimed