SCHEMBL14977313

SCHEMBL14977313

CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)CO)ccc3C)cn12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
DGAT2 Q96PD7 1/20 0.39
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
MAPK14 Q16539 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
MAP4K4 O95819 1/20 0.35
MAPT P10636 1/20 0.34
NAMPT P43490 1/20 0.34
PLTP P55058 1/20 0.34
GABRA5 P31644 1/20 0.34
SYK P43405 1/20 0.33

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
SCHEMBL14986306 0.93 MAPK14 (0.37) ABL1MAPK14MAPTNAMPT
SCHEMBL14977606 0.92 MAPK14 (0.41) ABL1DGAT2MAPK14NPC1RAB9A
SCHEMBL14977581 0.89 MAPK14 (0.39) ABL1MAPK14MAPTNAMPT
SCHEMBL14977569 0.89 MAPK14 (0.37) ABL1DGAT2MAPK14MAPT
SCHEMBL14977247 0.88 MAPK14 (0.38) CNR2MAPK14MAPT
SCHEMBL14977604 0.87 MAPK14 (0.36) ABL1DGAT2MAPK14MAPT
SCHEMBL14977707 0.87 PPARG (0.39) DGAT2MAPK14NPC1MAPT
SCHEMBL14977601 0.86 CYP2C8 (0.38) ABL1MAPK14NAMPT
SCHEMBL14986287 0.86 MAPK14 (0.39) ABL1MAPK14NPC1RAB9AMAPT
SCHEMBL14977841 0.86 MAPK14 (0.35) ABL1DGAT2MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO claimed
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO disclosed
WO-2013075173-A1 COMPOUNDS FOR THE TREATMENT OF HCV BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-05-30 WO disclosed