SCHEMBL8764338

SCHEMBL8764338

CNc1ccc(-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 10/20 0.43
ALOX5 P09917 3/20 0.43
PTGS1 P23219 5/20 0.43
EPHX2 P34913 1/20 0.39

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
SCHEMBL8765506 0.97 PTGS2 (0.43) PTGS2ALOX5PTGS1
SCHEMBL8765550 0.96 PTGS2 (0.46) PTGS2PTGS1
Dimethylamine SCHEMBL8765691 0.91 PTGS2 (0.48) PTGS2ALOX5PTGS1
SCHEMBL8765104 0.91 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8672399 0.90 PTGS2 (0.51) PTGS2ALOX5PTGS1
SCHEMBL8765778 0.88 ALOX5 (0.48) PTGS2ALOX5PTGS1
SCHEMBL8766177 0.88 AOC3 (0.46) PTGS2ALOX5EPHX2
SCHEMBL8765507 0.88 PTGS2 (0.43) PTGS2ALOX5PTGS1
SCHEMBL8765368 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8765172 0.87 PTGS2 (0.46) PTGS2ALOX5PTGS1

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