SCHEMBL4476143

SCHEMBL4476143

Nc1c(-c2ccc(C3CC[CH]CC3)cc2)cnc2cc(-c3cccs3)nn12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
DGAT1 O75907 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
STAT1 P42224 1/20 0.44
FYN P06241 10/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
PLAT P00750 1/20 0.35
KDR P35968 1/20 0.35
CHRM4 P08173 1/20 0.35
GRK5 P34947 1/20 0.35

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
SCHEMBL4939500 0.84 DGAT1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EDGAT1
SCHEMBL4472609 0.81 DGAT1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EDGAT1
SCHEMBL4558482 0.79 DGAT1 (0.52) NPC1RAB9ASMN1; SMN2KDM4EDGAT1
SCHEMBL4485345 0.79 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EDGAT1
SCHEMBL4472222 0.69 ALDH1A1 (0.60) NPC1RAB9AKDM4EDGAT1ALDH1A1
SCHEMBL4558171 0.68 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EDGAT1
SCHEMBL4475120 0.67 DGAT1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EDGAT1
SCHEMBL4937509 0.65 DGAT1 (0.72) NPC1RAB9ASMN1; SMN2KDM4EDGAT1
SCHEMBL4476872 0.64 DGAT1 (0.46) DGAT1ALDH1A1
SCHEMBL4948253 0.63 DGAT1 (0.72) NPC1RAB9ASMN1; SMN2KDM4EDGAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO claimed
EP-2117526-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2013-04-03 EP disclosed
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed