SCHEMBL8087289

SCHEMBL8087289

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 2/20 0.40
PTGS1 P23219 2/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37

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
SCHEMBL8096123 0.90 PTGS2 (0.47) PTGS2KDM4EPOLBMEN1ALDH1A1
SCHEMBL8087140 0.90 KDM4E (0.43) PTGS2KDM4EPOLBMEN1ALDH1A1
SCHEMBL8776866 0.89 KDM4E (0.43) PTGS2KDM4EPOLBMEN1ALDH1A1
SCHEMBL8096139 0.89 KDM4E (0.54) PTGS2KDM4EPOLBMEN1ALDH1A1
SCHEMBL8093184 0.86 CNR1 (0.52) PTGS2KDM4EPOLBMEN1ALDH1A1
SCHEMBL8095490 0.86 CNR1 (0.51) PTGS2KDM4EPOLBALDH1A1HPGD
SCHEMBL8093454 0.86 PTGS2 (0.45) PTGS2KDM4EPOLBCNR1CNR2
SCHEMBL8099081 0.86 CNR1 (0.45) PTGS2KDM4EPOLBCNR1CNR2
SCHEMBL8092663 0.86 CNR1 (0.46) PTGS2KDM4EPOLBCNR1CNR2
SCHEMBL8099217 0.85 KDM4E (0.47) PTGS2KDM4EPOLBMEN1ALDH1A1

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 6 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
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