SCHEMBL8094625

SCHEMBL8094625

CS(=O)(=O)c1ccc(-c2cc(C#N)c(=O)[nH]c2-c2ccc(F)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.72
MAPK13 O15264 1/20 0.56
RAF1 P04049 1/20 0.56
MAPK9 P45984 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
MAPK14 Q16539 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.47
GALR3 O60755 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL11006102 0.82 KDM4E (0.69) PTGS2MEN1KMT2AKDM4EGALR3
SCHEMBL10515613 0.81 GCGR (0.53) PTGS2MAPK14MEN1KMT2AKDM4E
SCHEMBL8092522 0.81 GCGR (0.53) PTGS2MAPK13MAPK9MAPK12MAPK11
SCHEMBL10517374 0.81 PTGS2 (0.47) PTGS2MAPK14MEN1KMT2AKDM4E
SCHEMBL7407595 0.79 KDM4E (0.73) PTGS2MEN1KMT2AKDM4EGALR3
SCHEMBL8085712 0.78 PTGS2 (0.63) PTGS2MAPK13RAF1MAPK9MAPK12
SCHEMBL8101156 0.78 PTGS2 (0.63) PTGS2MAPK13RAF1MAPK9MAPK12
SCHEMBL10740403 0.78 PTGS2 (1.00) PTGS2MAPK13RAF1MAPK9MAPK12
SCHEMBL7981809 0.78 PTGS2 (0.77) PTGS2MAPK13RAF1MAPK9MAPK12
SCHEMBL11004018 0.78 PDE3A (0.67) PTGS2MEN1KMT2AKDM4EGALR3

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