SCHEMBL15445010

SCHEMBL15445010

Cc1cc(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OCC(C)(C)C(=O)NCC4=NNNN4)nc3)cc2n1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.73
SOAT2 O75908 3/20 0.73
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.37
TACR3 P29371 1/20 0.36

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
SCHEMBL12060223 0.85 DGAT1 (0.72) DGAT1SOAT2L3MBTL1MEN1KMT2A
SCHEMBL435175 0.85 DGAT1 (1.00) DGAT1SOAT2L3MBTL1MEN1KMT2A
SCHEMBL12045609 0.84 DGAT1 (0.88) DGAT1SOAT2L3MBTL1MEN1KMT2A
SCHEMBL462112 0.83 DGAT1 (0.87) DGAT1SOAT2L3MBTL1MEN1KMT2A
SCHEMBL374783 0.73 DGAT1 (1.00) DGAT1SOAT2L3MBTL1MEN1KMT2A
SCHEMBL9984741 0.72 DGAT1 (0.67) DGAT1SOAT2ALDH1A1KDM4E
SCHEMBL12045604 0.72 DGAT1 (0.88) DGAT1SOAT2L3MBTL1MEN1KMT2A
SCHEMBL13189567 0.69 DGAT1 (0.67) DGAT1SOAT2L3MBTL1MEN1KMT2A
SCHEMBL374805 0.69 DGAT1 (0.69) DGAT1SOAT2CYP2C9
SCHEMBL438393 0.68 DGAT1 (0.63) DGAT1SOAT2L3MBTL1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed