SCHEMBL874023

SCHEMBL874023

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 4/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
APAF1 O14727 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP13 P45452 3/20 0.35
MAPT P10636 4/20 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
SCHEMBL873710 0.93 CHRNA7 (0.41) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL874536 0.92 NAMPT (0.45) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL874136 0.91 CHRNA7 (0.40) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL873866 0.82 CHRNA7 (0.42) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL874022 0.82 CHRNA7 (0.41) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL874185 0.80 NPC1 (0.39) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL874187 0.78 NPC1 (0.46) CHRNA7SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL874135 0.77 NAMPT (0.41) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL873709 0.76 CHRNA7 (0.41) CHRNA7NAMPTSMN1; SMN2KDM4ENPC1
SCHEMBL874680 0.76 NPC1 (0.46) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A

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