SCHEMBL4558482

SCHEMBL4558482

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.52
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
STAT1 P42224 1/20 0.41
KDR P35968 7/20 0.37
USP7 Q93009 1/20 0.33
LCK P06239 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL4485345 0.86 NPC1 (0.62) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4472609 0.86 DGAT1 (0.52) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4948253 0.82 DGAT1 (0.72) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4476143 0.79 NPC1 (0.49) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4472222 0.75 ALDH1A1 (0.60) DGAT1NPC1RAB9AKDM4EMEN1
SCHEMBL4558171 0.72 NPC1 (0.67) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4937509 0.71 DGAT1 (0.72) DGAT1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4937122 0.70 DGAT1 (0.71) DGAT1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4476872 0.70 DGAT1 (0.46) DGAT1ALDH1A1USP7POLB
SCHEMBL4475120 0.69 DGAT1 (0.67) DGAT1NPC1RAB9ASMN1; SMN2KDM4E

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 4 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-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