SCHEMBL16486178

SCHEMBL16486178

O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2Cl)on1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.74
RAB9A P51151 8/20 0.74
MEN1 O00255 8/20 0.74
KMT2A Q03164 8/20 0.74
ALDH1A1 P00352 4/20 0.74
HSD17B10 Q99714 3/20 0.74
HPGD P15428 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
THRB P10828 2/20 0.67
GAA P10253 1/20 0.66
KDM4E B2RXH2 2/20 0.61
HCRTR1 O43613 1/20 0.60
POLB P06746 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL17731968 0.84 THRB (0.80) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL17318639 0.80 HSD17B10 (1.00) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6833999 0.79 NPC1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4286601 0.79 RAB9A (0.67) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6833804 0.76 NPC1 (0.57) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21361937 0.75 HPGD (0.70) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6830546 0.74 KMT2A (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL17732031 0.74 SMN1; SMN2 (0.76) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6833933 0.73 NPC1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3413937 0.73 NPC1 (0.63) NPC1RAB9AMEN1KMT2AALDH1A1

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