SCHEMBL16486346

SCHEMBL16486346

CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
MAPT P10636 5/20 1.00
TP53 P04637 4/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
CACNA1B Q00975 1/20 1.00
APBA1 Q02410 1/20 1.00
NPSR1 Q6W5P4 1/20 0.77
RXFP1 Q9HBX9 1/20 0.77
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 1/20 0.60
ACR P10323 2/20 0.60
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.58
HTT P42858 2/20 0.57

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
SCHEMBL17731986 0.86 NPC1 (0.77) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL16486042 0.86 NPC1 (0.77) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL11534377 0.82 SMN1; SMN2 (0.77) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL20435882 0.81 MEN1 (0.78) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL17318520 0.80 MEN1 (1.00) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL20620013 0.78 SMN1; SMN2 (1.00) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL17732000 0.77 NPC1 (0.78) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL23513412 0.77 NPC1 (0.74) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL11965067 0.77 NPC1 (0.61) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL16486232 0.76 KMT2A (0.87) NPC1RAB9AMAPTTP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 WO disclosed