SCHEMBL2313671

SCHEMBL2313671

COc1ccc(C(=O)NC(C)(CI)C(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLTP P55058 7/20 0.51
CETP P11597 1/20 0.46
DGAT1 O75907 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
RORC P51449 1/20 0.43
SCD O00767 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV4 Q9HBA0 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2318313 0.93 PLTP (0.49) PLTPCETPDGAT1MEN1KMT2A
SCHEMBL2315529 0.90 DGAT1 (0.56) PLTPDGAT1MEN1KMT2AKDM4E
SCHEMBL2487506 0.90 PLTP (0.52) PLTPCETPDGAT1MEN1KMT2A
SCHEMBL2316605 0.89 ADORA1 (0.52) PLTPDGAT1MEN1KMT2APTGDR2
SCHEMBL2317599 0.89 PLTP (0.49) PLTPDGAT1MEN1KMT2AKDM4E
SCHEMBL2314988 0.88 TRPV4 (0.54) PLTPDGAT1KDM4EHTTPTGDR2
SCHEMBL2316639 0.87 DGAT1 (0.46) PLTPDGAT1MEN1KMT2AKDM4E
SCHEMBL2316402 0.85 PLTP (0.51) PLTPDGAT1MEN1KMT2AKDM4E
SCHEMBL2318436 0.85 PLTP (0.50) PLTPDGAT1KMT2AKDM4EPTGDR2
SCHEMBL2313698 0.85 PLTP (0.49) PLTPDGAT1KMT2AKDM4EPTGDR2

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