SCHEMBL8765178

SCHEMBL8765178

NS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.80
PTGS1 P23219 14/20 0.80
PDPK1 O15530 2/20 0.60

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
SCHEMBL8634369 0.96 PTGS2 (0.74) PTGS2PTGS1PDPK1
SCHEMBL8635459 0.94 PTGS2 (0.72) PTGS2PTGS1PDPK1
SCHEMBL8765053 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8765525 0.89 PTGS2 (0.64) PTGS2PTGS1PDPK1
SCHEMBL212332 0.89 PTGS2 (1.00) PTGS2PTGS1PDPK1
SCHEMBL8764369 0.89 PTGS2 (0.64) PTGS2PTGS1PDPK1
SCHEMBL8609145 0.89 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL8765415 0.88 PTGS2 (0.67) PTGS2PTGS1PDPK1
SCHEMBL8765164 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8765119 0.88 PTGS2 (0.66) PTGS2PTGS1

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 4 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