SCHEMBL873710

SCHEMBL873710

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)o1)N1CCC(OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.41
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
PIN1 Q13526 3/20 0.35
MAPT P10636 4/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL874023 0.93 CHRNA7 (0.42) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874536 0.90 NAMPT (0.45) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874136 0.87 CHRNA7 (0.40) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL873709 0.83 CHRNA7 (0.41) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL873866 0.81 CHRNA7 (0.42) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874185 0.79 NPC1 (0.39) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874187 0.77 NPC1 (0.46) CHRNA7SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL874680 0.76 NPC1 (0.46) SMN1; SMN2ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL874022 0.75 CHRNA7 (0.41) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874535 0.73 NAMPT (0.48) CHRNA7NAMPTSMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed