SCHEMBL8092441

SCHEMBL8092441

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.50
SQOR Q9Y6N5 1/20 0.49
CNR2 P34972 6/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL8085292 0.85 PTGS2 (0.52) CNR1SQORMAPK13MAPK12MAPK11
SCHEMBL8085721 0.83 CNR1 (0.48) CNR1SQORCNR2
SCHEMBL8100978 0.79 CNR1 (0.47) CNR1CNR2MAPK13MAPK12MAPK11
SCHEMBL8093828 0.78 CNR1 (0.52) CNR1CNR2MAPK13MAPK12MAPK11
SCHEMBL8093645 0.73 PTGS2 (0.53) CNR1CNR2MAPK13MAPK12MAPK11
SCHEMBL8094093 0.73 CNR1 (0.46) CNR1CNR2
SCHEMBL8100740 0.72 PTGS2 (0.58) CNR1
SCHEMBL8094551 0.71 CNR1 (0.49) CNR1SQORCNR2
SCHEMBL8086268 0.71 PTGS2 (0.57) CNR1
SCHEMBL8421067 0.71 SQOR (0.45) CNR1SQOR

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