SCHEMBL7465856

SCHEMBL7465856

COc1ccc(-n2nc(N)cc2-c2ccc(SC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.54
PTGS1 P23219 8/20 0.53
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RPA1 P27694 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
CHRNA7 P36544 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL7867770 0.87 MAPT (0.45) PTGS2PTGS1CYP1A2RPA1CA1
SCHEMBL7461822 0.84 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL9202494 0.84 PTGS2 (0.52) PTGS2PTGS1LMNACHRNA7
SCHEMBL8645116 0.84 MALT1 (0.50) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7872744 0.82 RIPK2 (0.43) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7867813 0.82 PTGS2 (0.44) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7867785 0.82 PTGS2 (0.47) PTGS2PTGS1TSHRCA9LMNA
SCHEMBL5148751 0.82 PTGS2 (0.54) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7872838 0.82 PTGS2 (0.47) PTGS2PTGS1NPSR1RPA1LMNA
SCHEMBL7465814 0.81 CA1 (0.52) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554829-B1 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed