SCHEMBL7876578

SCHEMBL7876578

Cc1ccc(-n2nc(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.54
ALOX5 P09917 1/20 0.48
CYP2C9 P11712 1/20 0.47
PTGS1 P23219 3/20 0.46
RPA1 P27694 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
SCHEMBL7867777 0.91 PTGS2 (0.54) PTGS2ALOX5CYP2C9PTGS1RPA1
SCHEMBL7867791 0.87 PTGS2 (0.59) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7872730 0.87 PTGS2 (0.56) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7867784 0.86 PTGS2 (0.51) PTGS2ALOX5PTGS1
SCHEMBL28744270 0.85 PTGS2 (0.53) PTGS2ALOX5CYP2C9PTGS1RPA1
SCHEMBL7867753 0.85 ALOX5 (0.53) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL9203630 0.85 PTGS2 (0.65) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7878979 0.84 PTGS2 (0.59) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7876290 0.84 PTGS2 (0.56) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7867779 0.84 PTGS2 (0.51) PTGS2ALOX5CYP2C9PTGS1RPA1

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