SCHEMBL8765856

SCHEMBL8765856

CN(C)c1ccc(-n2nc(C(F)F)c(-c3ccccc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.48
▸ PTGS1 P23219 5/20 0.48
▸ ALOX5 P09917 2/20 0.43
▸ KDM1A O60341 3/20 0.41

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
SCHEMBL8765688 0.97 PTGS2 (0.47) PTGS2PTGS1ALOX5KDM1A
SCHEMBL8917080 0.96 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8765370 0.91 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8672399 0.90 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL8765778 0.88 ALOX5 (0.48) PTGS2PTGS1ALOX5
SCHEMBL8765507 0.88 PTGS2 (0.43) PTGS2PTGS1ALOX5
SCHEMBL8765249 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8765172 0.87 PTGS2 (0.46) PTGS2PTGS1ALOX5
SCHEMBL8765226 0.87 PTGS2 (0.45) PTGS2PTGS1ALOX5
Dimethylamine SCHEMBL8765691 0.87 PTGS2 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731794-B1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1997-08-06 — — EP disclosed
US-5639777-A 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders G.D. SEARLE & CO. (US) 1997-06-17 — — US disclosed
EP-0731794-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1996-09-18 — — EP disclosed
WO-1995015317-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 1995-06-08 — — WO disclosed
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 — — US disclosed
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