SCHEMBL178117

SCHEMBL178117

O=C(Nc1ccc(-c2cnc(CNS(=O)(=O)CF)s2)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
P2RY1 P47900 1/20 0.43
DGAT1 O75907 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 1/20 0.43
CA9 Q16790 1/20 0.43
NAMPT P43490 5/20 0.42
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MTOR P42345 2/20 0.40
BAZ1A Q9NRL2 1/20 0.40
FLT3 P36888 1/20 0.39
NTRK1 P04629 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL178250 0.90 EPHX2 (0.43) EPHX2P2RY1DGAT1CA12CA1
SCHEMBL15021989 0.90 EPHX2 (0.47) EPHX2P2RY1DGAT1CA12CA1
SCHEMBL175408 0.89 DGAT1 (0.48) DGAT1NAMPTKDRFLT3
SCHEMBL176338 0.83 DGAT1 (0.53) DGAT1CA12CA1CA2MAPT
SCHEMBL163198 0.82 TRPV1 (0.50) DGAT1
SCHEMBL15021930 0.81 DGAT1 (0.47) DGAT1MAPTNAMPT
SCHEMBL15022122 0.81 EPHX2 (0.44) EPHX2P2RY1DGAT1CA12CA1
SCHEMBL178118 0.79 DGAT1 (0.47) EPHX2P2RY1DGAT1CA12CA1
SCHEMBL164633 0.79 DGAT1 (0.50) DGAT1MAPTNAMPTKDRMTOR
SCHEMBL174942 0.78 DGAT1 (0.48) EPHX2DGAT1NAMPTKDRFLT3

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