SCHEMBL174941

SCHEMBL174941

CS(=O)(=O)N(F)CCc1ncc(-c2ccc(NC(=O)Nc3ccccc3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.46
CNR1 P21554 1/20 0.46
NAMPT P43490 3/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
AURKA O14965 1/20 0.40
LOXL3 P58215 1/20 0.40
KIT P10721 1/20 0.40
ACP1 P24666 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL175407 0.91 DGAT1 (0.47) DGAT1CNR1NAMPTERCC5FEN1
SCHEMBL176237 0.90 DGAT1 (0.51) DGAT1CDK5KDRFLT3KIT
SCHEMBL178251 0.89 NTRK1 (0.45) DGAT1KDRMEN1KMT2A
SCHEMBL176339 0.81 DGAT1 (0.52) DGAT1CDK5KDRFLT3KIT
SCHEMBL178102 0.81 DGAT1 (0.41) DGAT1ERCC5FEN1CDK5KDR
SCHEMBL178118 0.80 DGAT1 (0.47) DGAT1KDRMEN1KMT2A
SCHEMBL174942 0.79 DGAT1 (0.48) DGAT1CNR1NAMPTERCC5FEN1
SCHEMBL15021905 0.78 DGAT1 (0.48) DGAT1CNR1NAMPTERCC5FEN1
SCHEMBL175408 0.77 DGAT1 (0.48) DGAT1CNR1NAMPTERCC5FEN1
SCHEMBL15021930 0.76 DGAT1 (0.47) DGAT1CNR1NAMPTERCC5FEN1

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed