SCHEMBL7466367

SCHEMBL7466367

CS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.55
PTGS1 P23219 5/20 0.55
NR3C2 P08235 1/20 0.45
USP2 O75604 1/20 0.44
ALOX5 P09917 1/20 0.44
CYP2C9 P11712 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL7467786 0.82 PTGS2 (0.70) PTGS2PTGS1ALOX5CYP2C9CA12
SCHEMBL7465512 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL9203630 0.81 PTGS2 (0.65) PTGS2PTGS1ALOX5CYP2C9CA12
SCHEMBL7459996 0.81 PTGS2 (0.62) PTGS2PTGS1ALOX5CYP2C9CA1
SCHEMBL9089487 0.80 PTGS2 (0.52) PTGS2PTGS1ALOX5CA12CA1
SCHEMBL9201549 0.80 PTGS2 (0.78) PTGS2PTGS1NR3C2ALOX5CYP2C9
SCHEMBL9207728 0.80 PTGS2 (0.64) PTGS2PTGS1ALOX5CYP2C9CA1
SCHEMBL9203156 0.80 PTGS2 (0.78) PTGS2PTGS1NR3C2ALOX5CYP2C9
SCHEMBL27342072 0.79 ALOX5 (0.61) PTGS2PTGS1ALOX5CYP2C9
SCHEMBL9210069 0.79 PTGS2 (0.60) PTGS2PTGS1ALOX5CA1CA2

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 3 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-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