SCHEMBL7876239

SCHEMBL7876239

COc1ccc(-n2nc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.48
PTGS1 P23219 5/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX5 P09917 1/20 0.43

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
SCHEMBL7876226 0.92 PTGS2 (0.48) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7867732 0.87 PTGS2 (0.64) PTGS2PTGS1CYP2C9
SCHEMBL7867587 0.86 PTGS2 (0.55) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7874480 0.85 PTGS2 (0.48) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7874491 0.84 PTGS2 (0.46) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7874446 0.84 PTGS2 (0.52) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7874467 0.82 ALOX5 (0.47) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7867859 0.82 PTGS2 (0.50) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7872911 0.82 PTGS2 (0.57) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7874411 0.81 PTGS2 (0.46) 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 3 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
EP-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed