SCHEMBL8357948

SCHEMBL8357948

BrCCOc1ccc2nc(Cc3ccccn3)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
OPRK1 P41145 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX5AP P20292 1/20 0.38
CA1 P00915 2/20 0.38

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
SCHEMBL8357496 0.84 DRD2 (0.53) NPC1RAB9AMAPTHTTKMT2A
SCHEMBL8552033 0.81 LMNA (0.52) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL8358150 0.79 RAB9A (0.41) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL8355855 0.79 NPC1 (0.45) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL8358033 0.77 MAPT (0.52) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL8357941 0.77 MAPT (0.48) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL8355815 0.77 KMT2A (0.47) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7595078 0.76 NPC1 (0.61) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL8516569 0.74 MAPT (0.44) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL4692619 0.74 NPC1 (0.57) NPC1RAB9AMAPTL3MBTL1HTT

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
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed