SCHEMBL8087140

SCHEMBL8087140

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
PTGS2 P35354 8/20 0.43
PTGS1 P23219 2/20 0.43
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 4/20 0.39
CNR2 P34972 2/20 0.39
FYN P06241 2/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38

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
SCHEMBL8093664 0.90 KDM4E (0.45) KDM4EPOLBPTGS2PTGS1MEN1
SCHEMBL8087289 0.90 PTGS2 (0.46) KDM4EPOLBPTGS2PTGS1MEN1
SCHEMBL8087076 0.88 PTGS2 (0.48) KDM4EPOLBPTGS2CNR1CNR2
SCHEMBL8096139 0.88 KDM4E (0.54) KDM4EPOLBPTGS2PTGS1MEN1
SCHEMBL8085727 0.86 PTGS2 (0.45) KDM4EPOLBPTGS2PTGS1CNR1
SCHEMBL8093184 0.85 CNR1 (0.52) KDM4EPOLBPTGS2PTGS1MEN1
SCHEMBL8099081 0.85 CNR1 (0.45) KDM4EPOLBPTGS2PTGS1CNR1
SCHEMBL8095490 0.85 CNR1 (0.51) KDM4EPOLBPTGS2PTGS1ALDH1A1
SCHEMBL8093454 0.85 PTGS2 (0.45) KDM4EPOLBPTGS2PTGS1CNR1
SCHEMBL8085692 0.84 KDM4E (0.42) KDM4EPOLBPTGS2PTGS1ALDH1A1

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