SCHEMBL10187336

SCHEMBL10187336

COc1ccc(Nc2nccc(N)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.71
KCNH2 Q12809 9/20 0.71
SCN5A Q14524 9/20 0.71
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
PIK3CA P42336 1/20 0.58
PIK3CB P42338 1/20 0.58
PIK3CG P48736 1/20 0.58
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
IKBKB O14920 2/20 0.55

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
SCHEMBL12813041 0.84 SYK (0.71) SCN9AKCNH2SCN5AKMT2ANPC1
SCHEMBL14618917 0.82 MEN1 (0.71) SCN9AKCNH2SCN5AMEN1KMT2A
SCHEMBL23780649 0.81 SCN9A (0.72) SCN9AKCNH2SCN5AMEN1KMT2A
Hydrochloric Acid SCHEMBL12813301 0.81 EGFR (0.71) SCN9ASCN5ANPC1RAB9ACDK5
SCHEMBL3979028 0.81 MEN1 (0.69) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3972344 0.81 MEN1 (0.74) SCN9AKCNH2SCN5AMEN1KMT2A
SCHEMBL12813201 0.80 SCN9A (0.66) SCN9AKCNH2SCN5AMEN1KMT2A
SCHEMBL3454504 0.80 SCN9A (0.55) SCN9AKCNH2SCN5AMEN1KMT2A
SCHEMBL1121223 0.79 RAB9A (0.67) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4467991 0.79 ROCK1 (0.63) SCN9AKCNH2SCN5AMEN1KMT2A

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-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed