SCHEMBL14977688

SCHEMBL14977688

CNC(=O)c1c(-c2cccc(F)c2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
CSNK1E P49674 2/20 0.37
MAPK14 Q16539 4/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
LHCGR P22888 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
TACR3 P29371 1/20 0.33
PHGDH O43175 1/20 0.33
KMT2A Q03164 1/20 0.33
DDR2 Q16832 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PDE2A O00408 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
SCHEMBL14976867 0.93 ROCK2 (0.38) PPARGMAPK14ROCK2ROCK1TACR3
SCHEMBL14977707 0.92 PPARG (0.39) PPARGMAPK14ROCK2ROCK1MAPT
SCHEMBL14977618 0.91 LHCGR (0.41) CSNK1EMAPK14LHCGRMAPTTP53
SCHEMBL14986303 0.89 ROCK2 (0.37) PPARGMAPK14ROCK2ROCK1TACR3
SCHEMBL14977569 0.88 MAPK14 (0.37) PPARGMAPK14MAPT
SCHEMBL14977776 0.88 SUCNR1 (0.37) PPARGMAPK14ROCK2ROCK1MAPT
SCHEMBL14977604 0.86 MAPK14 (0.36) PPARGMAPK14MAPT
SCHEMBL14977623 0.86 PPARG (0.39) PPARGROCK2ROCK1MAPTTP53
SCHEMBL14977625 0.85 RIPK2 (0.36) MAPK14MAPT
SCHEMBL14977778 0.85 ROCK2 (0.39) MAPK14ROCK2MAPTKMT2A

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