SCHEMBL8100978

SCHEMBL8100978

CSc1ccc(-c2cc(C#N)c(C)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.47
CNR2 P34972 3/20 0.47
MAPK14 Q16539 7/20 0.44
MAPK13 O15264 5/20 0.44
MAPK12 P53778 5/20 0.44
MAPK11 Q15759 5/20 0.44
GCGR P47871 6/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS1 P23219 1/20 0.41
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
ALOX5 P09917 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MATK P42679 1/20 0.40

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
SCHEMBL8093828 0.86 CNR1 (0.52) CNR1CNR2MAPK14MAPK13MAPK12
SCHEMBL8098107 0.80 PTGS2 (0.52) PTGS1
SCHEMBL8092441 0.79 CNR1 (0.50) CNR1CNR2MAPK14MAPK13MAPK12
SCHEMBL19835896 0.76 CNR1 (0.53) CNR1CNR2ALDH1A1CYP1A2NPSR1
SCHEMBL8085735 0.73 PTGS2 (0.52) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL8776847 0.73 CNR1 (0.52) CNR1CNR2ALDH1A1LMNACYP1A2
SCHEMBL8085559 0.73 MAPK13 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8419533 0.73 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8776913 0.72 ALOX5 (0.47) ALDH1A1LMNAPTGS1ALOX5
SCHEMBL8085631 0.72 CNR1 (0.52) CNR1CNR2ALDH1A1CYP1A2NPSR1

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