SCHEMBL7879006

SCHEMBL7879006

CCc1ccc(-n2nc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.52
ALOX5 P09917 2/20 0.47
PTGS1 P23219 3/20 0.46
CYP2C9 P11712 1/20 0.46
CHRNA7 P36544 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
SCHEMBL7867762 0.93 PTGS2 (0.48) PTGS2ALOX5PTGS1CYP2C9CHRNA7
SCHEMBL7876672 0.89 PTGS2 (0.50) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL7878975 0.85 ALOX5 (0.51) PTGS2ALOX5PTGS1CYP2C9CHRNA7
SCHEMBL28746692 0.85 PTGS2 (0.51) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL7874491 0.84 PTGS2 (0.46) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL7867763 0.84 PTGS2 (0.57) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL27528885 0.83 PTGS2 (0.49) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL27552886 0.83 PTGS2 (0.52) PTGS2ALOX5PTGS1CYP2C9CHRNA7
SCHEMBL27556744 0.83 PTGS2 (0.51) PTGS2ALOX5PTGS1CYP2C9
SCHEMBL7867859 0.82 PTGS2 (0.50) PTGS2ALOX5PTGS1CYP2C9

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