SCHEMBL2317599

SCHEMBL2317599

COc1cccc(C(=O)NC(C)(CI)C(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLTP P55058 4/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TRPV4 Q9HBA0 6/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
DHODH Q02127 1/20 0.44
KMT2A Q03164 1/20 0.44
RORC P51449 1/20 0.43
ADORA3 P0DMS8 2/20 0.42
SCD O00767 2/20 0.42
ADORA1 P30542 2/20 0.42
DGAT1 O75907 1/20 0.42

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
SCHEMBL2314988 0.93 TRPV4 (0.54) PLTPTRPV4KDM4EHTTTDP1
SCHEMBL2316605 0.91 ADORA1 (0.52) PLTPNPC1RAB9ATRPV4MEN1
SCHEMBL2490614 0.90 NPC1 (0.51) PLTPNPC1RAB9ATRPV4KDM4E
SCHEMBL2313671 0.89 PLTP (0.51) PLTPNPC1RAB9ATRPV4KDM4E
SCHEMBL2316402 0.88 PLTP (0.51) PLTPNPC1KDM4ESMN1; SMN2MEN1
SCHEMBL2318313 0.86 PLTP (0.49) PLTPNPC1RAB9ATRPV4LMNA
SCHEMBL2313698 0.85 PLTP (0.49) PLTPNPC1RAB9AKDM4ELMNA
SCHEMBL2317776 0.84 DGAT1 (0.59) PLTPSMN1; SMN2MEN1KMT2ARORC
SCHEMBL2319840 0.84 PLTP (0.48) PLTPNPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL2316639 0.84 DGAT1 (0.46) PLTPNPC1RAB9AKDM4ELMNA

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
EP-2349484-A2 HETEROARYL DERIVATIVES AS DGAT1 INHIBITORS Novartis AG (CH) 2011-08-03 EP disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 WO disclosed