SCHEMBL8095038

SCHEMBL8095038

CCCCOc1ccc(-c2nc(OC)c(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.56
PTGS1 P23219 5/20 0.56
CNR1 P21554 4/20 0.46
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 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
SCHEMBL8095681 0.91 CA2 (0.51) PTGS2PTGS1CNR1CNR2LMNA
SCHEMBL8093184 0.88 CNR1 (0.52) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8086870 0.88 PTGS2 (0.48) PTGS2PTGS1CNR1KDM4EPOLB
SCHEMBL8086011 0.87 PTGS2 (0.59) PTGS2PTGS1CNR1KDM4EPOLB
SCHEMBL8093454 0.86 PTGS2 (0.45) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8094773 0.86 PTGS2 (0.58) PTGS2PTGS1CNR1CNR2
SCHEMBL8093419 0.86 PTGS2 (0.72) PTGS2PTGS1CNR1CNR2
SCHEMBL8101344 0.86 PTGS2 (0.58) PTGS2PTGS1CNR1LMNASMN1; SMN2
SCHEMBL8086926 0.86 PTGS2 (0.52) PTGS2PTGS1CNR1CNR2KDM4E
SCHEMBL8086380 0.85 CNR1 (0.45) PTGS2PTGS1CNR1CNR2KDM4E

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