SCHEMBL8087076

SCHEMBL8087076

COc1nc(-c2cc(Cl)c(OC)c(Cl)c2)c(-c2ccc(S(C)(=O)=O)cc2)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.48
CNR1 P21554 9/20 0.45
CNR2 P34972 7/20 0.45
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL8093867 0.91 PTGS2 (0.55) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8092663 0.90 CNR1 (0.46) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8087140 0.88 KDM4E (0.43) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8093899 0.85 CNR1 (0.53) PTGS2CNR1CNR2
SCHEMBL8099081 0.84 CNR1 (0.45) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8093184 0.84 CNR1 (0.52) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8096139 0.84 KDM4E (0.54) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8093454 0.84 PTGS2 (0.45) PTGS2CNR1CNR2KDM4EPOLB
SCHEMBL8095490 0.84 CNR1 (0.51) PTGS2CNR1KDM4EPOLB
SCHEMBL8099034 0.84 CNR1 (0.65) CNR1CNR2

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 8 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-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO 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