SCHEMBL8776752

SCHEMBL8776752

CCS(=O)(=O)c1ccc(-c2cc(C#N)c(OC)nc2-c2cccc(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.48
CNR2 P34972 6/20 0.46
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
RORC P51449 3/20 0.41
SCN9A Q15858 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL8099937 0.90 CNR1 (0.48) CNR1CNR2AKT1AKT2SCN9A
SCHEMBL8093312 0.89 CA1 (0.47) CNR1CNR2AKT1AKT2SCN9A
SCHEMBL8776770 0.88 SCN9A (0.45) CNR1CNR2AKT1AKT2SCN9A
SCHEMBL8776824 0.86 CNR1 (0.63) CNR1CNR2
SCHEMBL8776740 0.85 CNR1 (0.52) CNR1CNR2
SCHEMBL8776866 0.85 KDM4E (0.43) CNR1CNR2AKT1AKT2RORC
SCHEMBL8776720 0.83 PTGS2 (0.47) CNR1CNR2SCN9ASQOR
SCHEMBL8776778 0.81 CNR1 (0.41) CNR1CNR2AKT1AKT2RORC
SCHEMBL8776745 0.80 KDM4E (0.46) CNR1AKT1AKT2
SCHEMBL8095490 0.78 CNR1 (0.51) CNR1AKT1AKT2SQOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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