SCHEMBL876612

SCHEMBL876612

CC(C)n1nc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)cc1C(=O)NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
F10 P00742 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 6/20 0.39
BRD4 O60885 2/20 0.39
RIPK1 Q13546 1/20 0.38
MAT2A P31153 1/20 0.38
TYK2 P29597 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
NAMPT P43490 1/20 0.37
MAP3K14 Q99558 1/20 0.36
MAPK14 Q16539 1/20 0.36
TTK P33981 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
SCHEMBL876377 0.85 CHRNA7 (0.47) CHRNA7F10NPC1RAB9AKMT2A
SCHEMBL877180 0.84 NAMPT (0.43) CHRNA7HDAC6NAMPT
SCHEMBL877181 0.80 NAMPT (0.40) CHRNA7HDAC6NAMPT
SCHEMBL874577 0.76 CHRNA7 (0.45) CHRNA7F10NPC1RAB9AKMT2A
SCHEMBL874187 0.76 NPC1 (0.46) CHRNA7NPC1RAB9AKMT2ARIPK1
SCHEMBL873877 0.74 CHRNA7 (0.42) CHRNA7NPC1RAB9ARIPK1NAMPT
SCHEMBL874150 0.74 HDAC6 (0.48) BRD4HDAC6BRD2BRD3BRDT
SCHEMBL874291 0.73 CHRNA7 (0.39) CHRNA7NPC1RAB9AKMT2ANAMPT
SCHEMBL882629 0.72 CHRNA7 (0.42) CHRNA7NPC1RAB9AKMT2ANAMPT
SCHEMBL874231 0.72 CHRNA7 (0.43) CHRNA7NPC1RAB9AKMT2ARIPK1

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