SCHEMBL8094767

SCHEMBL8094767

COc1nc(-c2ccccc2Cl)c(-c2ccc(S(N)(=O)=O)cc2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.52
CNR2 P34972 13/20 0.52
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL8093899 0.91 CNR1 (0.53) CNR1CNR2PTGS2L3MBTL1
SCHEMBL8093990 0.89 CNR1 (0.64) CNR1CNR2
SCHEMBL8776740 0.89 CNR1 (0.52) CNR1CNR2L3MBTL1
SCHEMBL8087245 0.87 KDM4E (0.51) CNR1PTGS2PTGS1CA1CA2
SCHEMBL8092465 0.86 PTGS2 (0.46) CNR1CNR2PTGS2PTGS1CA1
SCHEMBL8093867 0.85 PTGS2 (0.55) CNR1CNR2PTGS2PTGS1CA1
SCHEMBL8093896 0.85 PTGS2 (0.45) CNR1CNR2PTGS2PTGS1KDM4E
SCHEMBL8093312 0.84 CA1 (0.47) CNR1CNR2PTGS2PTGS1L3MBTL1
SCHEMBL8099377 0.83 KDM4E (0.56) CNR1CNR2PTGS2PTGS1CA1
SCHEMBL8100868 0.83 CA2 (0.51) CNR1CNR2PTGS2CA1CA2

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 4 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
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed