SCHEMBL7876290

SCHEMBL7876290

Cc1cc(-n2nc(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
ALOX5 P09917 1/20 0.48
CYP2C9 P11712 1/20 0.47
PTGS1 P23219 2/20 0.45
AOC3 Q16853 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
SCHEMBL7872730 0.91 PTGS2 (0.56) PTGS2ALOX5CYP2C9PTGS1AOC3
SCHEMBL7878979 0.87 PTGS2 (0.59) PTGS2ALOX5CYP2C9PTGS1AOC3
SCHEMBL7867777 0.87 PTGS2 (0.54) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7876295 0.86 PTGS2 (0.53) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL27574581 0.85 PTGS2 (0.55) PTGS2ALOX5CYP2C9PTGS1AOC3
SCHEMBL9203630 0.85 PTGS2 (0.65) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7867791 0.84 PTGS2 (0.59) PTGS2ALOX5CYP2C9PTGS1AOC3
SCHEMBL7876578 0.84 PTGS2 (0.54) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL7867795 0.84 PTGS2 (0.53) PTGS2ALOX5CYP2C9PTGS1
SCHEMBL27528917 0.83 PTGS2 (0.55) PTGS2ALOX5CYP2C9PTGS1AOC3

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