SCHEMBL8086366

SCHEMBL8086366

CCCCOC(=O)COc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.63
PTGS1 P23219 5/20 0.63
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 3/20 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
SCHEMBL8094989 0.92 PTGS2 (0.53) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL8093419 0.91 PTGS2 (0.72) PTGS2PTGS1CNR1
SCHEMBL8086370 0.88 PTGS2 (0.68) PTGS2PTGS1CNR1
SCHEMBL8087151 0.87 PTGS2 (0.67) PTGS2PTGS1CNR1
SCHEMBL8095481 0.87 PTGS2 (0.54) PTGS2PTGS1L3MBTL1CNR1
SCHEMBL8092731 0.86 PTGS2 (0.64) PTGS2PTGS1CNR1
SCHEMBL8100740 0.84 PTGS2 (0.58) PTGS2PTGS1CNR1
SCHEMBL8776744 0.83 SQOR (0.46) PTGS2PTGS1MEN1KMT2ANPSR1
SCHEMBL8086857 0.83 PTGS2 (0.53) PTGS2PTGS1CNR1
SCHEMBL8094547 0.83 PTGS2 (0.60) PTGS2PTGS1MEN1KMT2ANPSR1

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