SCHEMBL8923486

SCHEMBL8923486

CS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.59
RARB P10826 5/20 0.59
RARG P13631 5/20 0.59
RXRA P19793 5/20 0.59
PTGS2 P35354 9/20 0.57
ALOX5 P09917 1/20 0.52
AOC3 Q16853 1/20 0.49
CYP2C9 P11712 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL7467739 0.91 PTGS2 (0.57) RARARARBRARGRXRAPTGS2
SCHEMBL8925466 0.90 PTGS2 (0.59) RARARARBRARGRXRAPTGS2
SCHEMBL27342072 0.87 ALOX5 (0.61) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7459996 0.86 PTGS2 (0.62) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL9203630 0.86 PTGS2 (0.65) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL9201549 0.85 PTGS2 (0.78) PTGS2ALOX5AOC3CYP2C9PTGS1
SCHEMBL9207728 0.85 PTGS2 (0.64) PTGS2ALOX5AOC3CYP2C9PTGS1
SCHEMBL9203156 0.85 PTGS2 (0.78) PTGS2ALOX5AOC3CYP2C9PTGS1
SCHEMBL9210069 0.84 PTGS2 (0.60) PTGS2ALOX5PTGS1
SCHEMBL9209927 0.84 AOC3 (0.60) PTGS2ALOX5AOC3CYP2C9PTGS1

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
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