SCHEMBL874536

SCHEMBL874536

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)o1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
CHRNA7 P36544 2/20 0.40
SMN1; SMN2 Q16637 6/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
APAF1 O14727 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP13 P45452 3/20 0.36
KCNH2 Q12809 1/20 0.36

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 0.92 CHRNA7 (0.42) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL874136 0.91 CHRNA7 (0.40) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL873710 0.90 CHRNA7 (0.41) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL873866 0.84 CHRNA7 (0.42) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL874059 0.82 NAMPT (0.41) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL874185 0.82 NPC1 (0.39) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL873630 0.81 NAMPT (0.41) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL874618 0.81 NAMPT (0.41) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL874535 0.81 NAMPT (0.48) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD
SCHEMBL877181 0.80 NAMPT (0.40) NAMPTCHRNA7SMN1; SMN2HSD17B10HPGD

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