SCHEMBL178118

SCHEMBL178118

CS(=O)(=O)N(F)Cc1ncc(-c2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.47
P2RY1 P47900 1/20 0.45
EPHX2 P34913 7/20 0.44
NTRK1 P04629 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 1/20 0.42
CA9 Q16790 1/20 0.42
KDR P35968 1/20 0.42
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ3 P48549 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
BRD4 O60885 1/20 0.39
BRD2 P25440 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
SCHEMBL178251 0.91 NTRK1 (0.45) DGAT1P2RY1EPHX2NTRK1CA12
SCHEMBL175407 0.89 DGAT1 (0.47) DGAT1KDRHDAC6
SCHEMBL176339 0.83 DGAT1 (0.52) DGAT1CA12CA1CA2MAPT
SCHEMBL15021989 0.81 EPHX2 (0.47) DGAT1P2RY1EPHX2CA12CA1
SCHEMBL174941 0.80 DGAT1 (0.46) DGAT1KDRMEN1KMT2A
SCHEMBL178117 0.79 EPHX2 (0.45) DGAT1P2RY1EPHX2NTRK1CA12
SCHEMBL164989 0.78 DGAT1 (0.48) DGAT1P2RY1EPHX2KDRMEN1
SCHEMBL15022122 0.78 EPHX2 (0.44) DGAT1P2RY1EPHX2NTRK1CA12
SCHEMBL178250 0.77 EPHX2 (0.43) DGAT1P2RY1EPHX2NTRK1CA12
SCHEMBL162274 0.77 DGAT1 (0.45) DGAT1P2RY1EPHX2NTRK1MAPT

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