SCHEMBL14977618

SCHEMBL14977618

CNC(=O)c1c(-c2cccc(F)c2)nc2sc(-c3cc(C(=O)NC(C)(C)C)ccc3C)cn12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 1/20 0.41
MAPK14 Q16539 5/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 3/20 0.36
TRPA1 O75762 2/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HPGDS O60760 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
LMNA P02545 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
TGFBR1 P36897 1/20 0.33
GRM5 P41594 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
SCHEMBL14977688 0.91 PPARG (0.38) LHCGRMAPK14MAPTTP53CSNK1E
SCHEMBL14977606 0.91 MAPK14 (0.41) MAPK14MAPTNPC1RAB9ADGAT2
SCHEMBL14977625 0.91 RIPK2 (0.36) MAPK14MAPTNPC1HTTRAB9A
SCHEMBL14977138 0.87 MAPK14 (0.37) MAPK14MAPTTP53NPC1RAB9A
SCHEMBL14977598 0.85 CNR1 (0.42) MAPK14TP53NPC1RAB9ALMNA
SCHEMBL14977610 0.84 DGAT2 (0.38) MAPK14MAPTNPC1RAB9ALMNA
SCHEMBL14977569 0.83 MAPK14 (0.37) MAPK14MAPTDGAT2
SCHEMBL14977581 0.83 MAPK14 (0.39) MAPK14MAPT
SCHEMBL14976867 0.83 ROCK2 (0.38) MAPK14
SCHEMBL14977707 0.83 PPARG (0.39) MAPK14MAPTNPC1LMNADGAT2

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
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