SCHEMBL7867784

SCHEMBL7867784

COc1ccc(-n2nc(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.51
PTGS1 P23219 7/20 0.49
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
SCHEMBL7867779 0.92 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL7867795 0.88 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7867804 0.88 PTGS2 (0.56) PTGS2PTGS1
Hydrochloric Acid SCHEMBL7876356 0.87 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7876578 0.86 PTGS2 (0.54) PTGS2PTGS1ALOX5
SCHEMBL7867587 0.86 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7876654 0.85 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL7876295 0.85 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7874480 0.85 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL9210069 0.85 PTGS2 (0.60) PTGS2PTGS1ALOX5

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