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Sugi Predict / Compounds / SCHEMBL8422358

SCHEMBL8422358

SCHEMBL8422358

CS(=O)(=O)c1ccc(-n2nc(-c3cc(F)cc(F)c3)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.73
▸ PTGS1 P23219 4/20 0.58
▸ AOC3 Q16853 1/20 0.53
▸ CYP2C9 P11712 1/20 0.52
▸ ALOX5 P09917 1/20 0.50

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
SCHEMBL8423870 0.92 PTGS2 (0.79) PTGS2PTGS1AOC3
SCHEMBL8423953 0.92 PTGS2 (0.79) PTGS2PTGS1AOC3
SCHEMBL8420804 0.90 PTGS2 (0.88) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL8420952 0.90 PTGS2 (0.69) PTGS2PTGS1AOC3CYP2C9ALOX5
SCHEMBL8420090 0.89 PTGS2 (0.78) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL8421495 0.89 PTGS2 (0.67) PTGS2PTGS1AOC3CYP2C9
SCHEMBL8127713 0.88 PTGS2 (0.73) PTGS2PTGS1CYP2C9
SCHEMBL8421887 0.88 PTGS2 (0.73) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL8422330 0.88 PTGS2 (0.69) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL8423987 0.87 PTGS2 (0.75) PTGS2PTGS1CYP2C9ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 — — US disclosed
US-5434178-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G.D. SEARLE & CO. (US) 1995-07-18 — — US disclosed