SCHEMBL7874491

SCHEMBL7874491

CCc1ccc(-n2nc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.46
PTGS1 P23219 4/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX5 P09917 2/20 0.44

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
SCHEMBL7874467 0.94 ALOX5 (0.47) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7876672 0.85 PTGS2 (0.50) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7879006 0.84 PTGS2 (0.52) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7876239 0.84 PTGS2 (0.48) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7876226 0.82 PTGS2 (0.48) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL27556627 0.82 PTGS2 (0.57) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7878975 0.81 ALOX5 (0.51) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7867763 0.81 PTGS2 (0.57) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL28746692 0.79 PTGS2 (0.51) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7867762 0.79 PTGS2 (0.48) 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-6316485-B1 INHIBITS ACTIVITY OF CYCLOOXYGENASE-2; FOR THERAPY AND PROPHYLAXIS OF INFLAMMATION, THROMBOSIS, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE; AS ANALGESIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
CN-1271347-A 1, 5-diphenylpyrazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-10-25 CN disclosed