SCHEMBL8765506

SCHEMBL8765506

CNc1ccc(-c2c(C(F)F)nn(-c3ccccc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.43
PTGS1 P23219 4/20 0.41
ALOX5 P09917 2/20 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
SCHEMBL8764338 0.97 PTGS2 (0.43) PTGS2PTGS1ALOX5
SCHEMBL8765550 0.95 PTGS2 (0.46) PTGS2PTGS1
Dimethylamine SCHEMBL8765691 0.92 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL8672399 0.91 PTGS2 (0.51) PTGS2PTGS1ALOX5
SCHEMBL8765368 0.91 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8765892 0.88 PTGS2 (0.46) PTGS2PTGS1ALOX5
SCHEMBL8638385 0.88 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8765030 0.88 POLB (0.48) PTGS2
SCHEMBL8765104 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8765686 0.87 PTGS2 (0.47) 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