SCHEMBL874135

SCHEMBL874135

O=C(NCCN1CCCC(O)C1)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
CHRNA7 P36544 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 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
SCHEMBL874022 0.91 CHRNA7 (0.41) NAMPTCHRNA7SPHK2SPHK1DRD2
SCHEMBL874535 0.90 NAMPT (0.48) NAMPTCHRNA7DRD2DRD3SMN1; SMN2
SCHEMBL873709 0.86 CHRNA7 (0.41) NAMPTCHRNA7DRD2DRD3SMN1; SMN2
SCHEMBL873905 0.85 DRD2 (0.48) NAMPTCHRNA7DRD2DRD3ALDH1A1
SCHEMBL873865 0.83 NAMPT (0.42) NAMPTCHRNA7SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874136 0.81 CHRNA7 (0.40) NAMPTCHRNA7SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL873871 0.81 NPC1 (0.42) NAMPTCHRNA7SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874187 0.80 NPC1 (0.46) CHRNA7SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL874184 0.77 NPC1 (0.41) NAMPTCHRNA7SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL874023 0.77 CHRNA7 (0.42) NAMPTCHRNA7SMN1; 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