SCHEMBL178103

SCHEMBL178103

CN=C(N)N(c1ccc(-c2cnc(CCNS(=O)(=O)CF)s2)cc1)c1ccccc1F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ ERCC5 P28715 1/20 0.30

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
SCHEMBL162410 0.80 ERCC5 (0.35) LOXL2FEN1KDM4EERCC5
SCHEMBL160966 0.79 ERCC5 (0.31) FEN1KDM4EERCC5
SCHEMBL178101 0.77 DGAT1 (0.42) GRIA4TP53FEN1ERCC5
SCHEMBL178104 0.77 DGAT1 (0.42) GRIA4TP53FEN1ERCC5
SCHEMBL176236 0.72 DGAT1 (0.54) KDM4E
SCHEMBL174942 0.71 DGAT1 (0.48) FEN1ERCC5
SCHEMBL161582 0.70 CTSK (0.30) —
SCHEMBL171266 0.68 XDH (0.44) KDM4E
SCHEMBL15022160 0.66 DGAT1 (0.41) GRIA4LOXL2TP53FEN1ALOX5AP
SCHEMBL15022157 0.66 DGAT1 (0.41) GRIA4LOXL2TP53FEN1ALOX5AP

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
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