SCHEMBL14977776

SCHEMBL14977776

CNC(=O)c1c(-c2ccc(Cl)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.37
PPARG P37231 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
MAPT P10636 1/20 0.35
USP36 Q9P275 1/20 0.34
MALT1 Q9UDY8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACSS2 Q9NR19 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
B3GNT2 Q9NY97 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
NR4A2 P43354 1/20 0.33
DDR2 Q16832 1/20 0.33
IMPDH2 P12268 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 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 0.94 ROCK2 (0.38) PPARGROCK2ROCK1ACSS2DDR2
SCHEMBL14986303 0.94 ROCK2 (0.37) PPARGROCK2ROCK1ACSS2DDR2
SCHEMBL14977841 0.92 MAPK14 (0.35) MAPTMALT1ACSS2SMN1; SMN2B3GNT2
SCHEMBL14977707 0.92 PPARG (0.39) PPARGROCK2ROCK1MAPTKMT2A
SCHEMBL14977598 0.90 CNR1 (0.42) SUCNR1MALT1SMN1; SMN2NR4A2MAPK14
SCHEMBL14977569 0.88 MAPK14 (0.37) PPARGMAPTACSS2MAPK14
SCHEMBL14977688 0.88 PPARG (0.38) PPARGROCK2ROCK1MAPTKMT2A
SCHEMBL14977379 0.87 DGAT2 (0.42) PPARGROCK2ROCK1MAPTKMT2A
SCHEMBL14977623 0.87 PPARG (0.39) PPARGROCK2ROCK1MAPTKMT2A
SCHEMBL14977625 0.87 RIPK2 (0.36) MAPTMAPK14

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