SCHEMBL873866

SCHEMBL873866

CCN(C(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)o1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
MMP13 P45452 8/20 0.41
NAMPT P43490 1/20 0.40
RAB9A P51151 3/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 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
SCHEMBL874536 0.84 NAMPT (0.45) CHRNA7MMP13NAMPTRAB9AMAPKAPK2
SCHEMBL874483 0.83 RAB9A (0.40) CHRNA7NAMPTRAB9ARXFP1SMN1; SMN2
SCHEMBL874023 0.82 CHRNA7 (0.42) CHRNA7MMP13NAMPTRAB9AMAPKAPK2
SCHEMBL874185 0.82 NPC1 (0.39) CHRNA7NAMPTRAB9ASMN1; SMN2KDM4E
SCHEMBL874136 0.82 CHRNA7 (0.40) CHRNA7MMP13NAMPTRAB9AMAPKAPK2
SCHEMBL873710 0.81 CHRNA7 (0.41) CHRNA7MMP13NAMPTRAB9AMAPKAPK2
SCHEMBL873865 0.81 NAMPT (0.42) CHRNA7MMP13NAMPTRAB9ASMN1; SMN2
SCHEMBL874187 0.80 NPC1 (0.46) CHRNA7MMP13RAB9ASMN1; SMN2KDM4E
SCHEMBL873722 0.80 RXFP1 (0.38) CHRNA7NAMPTRAB9ARXFP1SMN1; SMN2
SCHEMBL874281 0.79 RAB9A (0.40) CHRNA7NAMPTRAB9ARXFP1SMN1; SMN2

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