SCHEMBL8085692

SCHEMBL8085692

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
APAF1 O14727 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
CNR1 P21554 6/20 0.42
PTGS2 P35354 6/20 0.41
PTGS1 P23219 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
CNR2 P34972 3/20 0.41
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39

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
SCHEMBL8092791 0.90 PTGS2 (0.47) KDM4EPOLBCNR1PTGS2PTGS1
SCHEMBL8093184 0.90 CNR1 (0.52) KDM4EALDH1A1KMT2ANPSR1POLB
SCHEMBL8093454 0.90 PTGS2 (0.45) KDM4EPOLBCNR1PTGS2PTGS1
SCHEMBL8095490 0.90 CNR1 (0.51) KDM4EALDH1A1KMT2ANPSR1POLB
SCHEMBL8096139 0.90 KDM4E (0.54) KDM4EALDH1A1KMT2ANPSR1POLB
SCHEMBL8099081 0.90 CNR1 (0.45) KDM4EPOLBCNR1PTGS2PTGS1
SCHEMBL8099217 0.89 KDM4E (0.47) KDM4EALDH1A1KMT2APOLBCNR1
SCHEMBL215205 0.89 PTGS2 (0.53) CNR1PTGS2PTGS1CNR2
SCHEMBL8093949 0.88 PTGS2 (0.47) KDM4EPOLBCNR1PTGS2PTGS1
SCHEMBL8086380 0.87 CNR1 (0.45) KDM4ENPSR1POLBCNR1PTGS2

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