SCHEMBL8100740

SCHEMBL8100740

CCOc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1C#N

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.58
PTGS1 P23219 4/20 0.58
CNR1 P21554 6/20 0.50
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL8092731 0.92 PTGS2 (0.64) PTGS2PTGS1CNR1
SCHEMBL8093419 0.91 PTGS2 (0.72) PTGS2PTGS1CNR1
SCHEMBL8094551 0.91 CNR1 (0.49) PTGS2PTGS1CNR1MAPK8
SCHEMBL8086370 0.90 PTGS2 (0.68) PTGS2PTGS1CNR1
SCHEMBL8095103 0.90 CNR1 (0.61) PTGS2PTGS1CNR1
SCHEMBL8087151 0.89 PTGS2 (0.67) PTGS2PTGS1CNR1
SCHEMBL8086857 0.88 PTGS2 (0.53) PTGS2PTGS1CNR1
SCHEMBL215205 0.88 PTGS2 (0.53) PTGS2PTGS1CNR1
SCHEMBL8085292 0.88 PTGS2 (0.52) PTGS2PTGS1CNR1
SCHEMBL8099978 0.88 PTGS2 (0.52) PTGS2PTGS1CNR1

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-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed