SCHEMBL13665282

SCHEMBL13665282

C/C=C(\C)OC(=O)[C@@H](NC(=O)c1ccnn2c(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)nnc12)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 6/20 0.50
DDX3X O00571 8/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
KDR P35968 2/20 0.37
FLT3 P36888 2/20 0.37
KIT P10721 1/20 0.37
DGAT1 O75907 2/20 0.37
TP53 P04637 1/20 0.36
PLK4 O00444 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 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
SCHEMBL1180247 0.91 CSGALNACT1 (0.51) CSGALNACT1DDX3XKDM4EMEN1NPC1
SCHEMBL1180249 0.91 CSGALNACT1 (0.51) CSGALNACT1DDX3XKDM4EMEN1NPC1
SCHEMBL1180623 0.89 CSGALNACT1 (0.63) CSGALNACT1DDX3XDGAT1
SCHEMBL1180010 0.89 CSGALNACT1 (0.63) CSGALNACT1DDX3XDGAT1
SCHEMBL12872646 0.80 CSGALNACT1 (0.62) CSGALNACT1DGAT1
SCHEMBL1180082 0.79 DDX3X (0.50) CSGALNACT1DDX3XKDM4EMEN1NPC1
SCHEMBL1180679 0.78 DDX3X (0.46) CSGALNACT1DDX3XKDM4EMEN1NPC1
SCHEMBL12887891 0.78 CSGALNACT1 (0.51) CSGALNACT1DDX3XKDM4EMEN1NPC1
SCHEMBL1180401 0.76 CSGALNACT1 (0.62) CSGALNACT1DDX3XDGAT1
SCHEMBL1180281 0.76 CSGALNACT1 (0.62) CSGALNACT1DDX3XDGAT1

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
WO-2009126624-A1 TRIAZOLO COMPOUNDS USEFUL AS DGAT1 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 WO disclosed