SCHEMBL14977604

SCHEMBL14977604

CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccc(C)cc4)ccc3C)cn12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.36
ACSS2 Q9NR19 2/20 0.36
MAPT P10636 3/20 0.35
DGAT1 O75907 1/20 0.34
ABL1 P00519 1/20 0.33
DGAT2 Q96PD7 2/20 0.33
CYP2C8 P10632 1/20 0.32
KCNH2 Q12809 1/20 0.32
PPARG P37231 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL14977569 0.98 MAPK14 (0.37) MAPK14ACSS2MAPTDGAT1ABL1
SCHEMBL14977841 0.94 MAPK14 (0.35) MAPK14ACSS2MAPTABL1DGAT2
SCHEMBL14977707 0.94 PPARG (0.39) MAPK14ACSS2MAPTDGAT2CYP2C8
SCHEMBL14986303 0.92 ROCK2 (0.37) MAPK14ACSS2PPARG
SCHEMBL14977606 0.90 MAPK14 (0.41) MAPK14ACSS2MAPTABL1DGAT2
SCHEMBL14977138 0.88 MAPK14 (0.37) MAPK14MAPT
SCHEMBL14977601 0.88 CYP2C8 (0.38) MAPK14ABL1CYP2C8KCNH2
SCHEMBL14977778 0.88 ROCK2 (0.39) MAPK14MAPTABL1
SCHEMBL14977581 0.88 MAPK14 (0.39) MAPK14ACSS2MAPTABL1CYP2C8
SCHEMBL14976867 0.88 ROCK2 (0.38) MAPK14ACSS2PPARG

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