SCHEMBL8087346

SCHEMBL8087346

CS(=O)(=O)c1ccc(-c2cc(C#N)c(SCc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
CNR1 P21554 3/20 0.46
CNR2 P34972 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA1 P30542 2/20 0.46
PTGS2 P35354 10/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
PTGS1 P23219 3/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8095193 0.91 CNR1 (0.46) CNR1CNR2NPSR1ADORA1PTGS2
SCHEMBL8092804 0.89 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14CNR1
SCHEMBL8101739 0.86 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14NPSR1
SCHEMBL8086624 0.83 PTGS2 (0.56) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8094698 0.83 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14CNR1
SCHEMBL8099392 0.81 PTGS2 (0.50) MAPK13MAPK12MAPK11MAPK14CNR1
SCHEMBL8092688 0.80 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8085735 0.80 PTGS2 (0.52) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8095596 0.79 PTGS2 (0.46) MAPK13MAPK12MAPK11MAPK14CNR1
SCHEMBL8094384 0.79 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14CNR1

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 6 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 claimed
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