SCHEMBL14977841

SCHEMBL14977841

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.35
ACSS2 Q9NR19 1/20 0.35
DGAT2 Q96PD7 2/20 0.35
ABL1 P00519 1/20 0.34
B3GNT2 Q9NY97 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA4 P48169 1/20 0.33
SMN1; SMN2 Q16637 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 0.96 MAPK14 (0.37) MAPK14ACSS2DGAT2ABL1MAPT
SCHEMBL14977604 0.94 MAPK14 (0.36) MAPK14ACSS2DGAT2ABL1MAPT
SCHEMBL14977776 0.92 SUCNR1 (0.37) MAPK14ACSS2B3GNT2MAPTMALT1
SCHEMBL14977707 0.92 PPARG (0.39) MAPK14ACSS2DGAT2MAPTKDM4E
SCHEMBL14977598 0.89 CNR1 (0.42) MAPK14TP53POLBALDH1A1MALT1
SCHEMBL14977606 0.89 MAPK14 (0.41) MAPK14ACSS2DGAT2ABL1MAPT
SCHEMBL14977623 0.88 PPARG (0.39) ACSS2DGAT2TP53MAPTKDM4E
SCHEMBL14977379 0.88 DGAT2 (0.42) ACSS2DGAT2TP53MAPTKDM4E
SCHEMBL14977601 0.87 CYP2C8 (0.38) MAPK14ABL1SMN1; SMN2
SCHEMBL14977778 0.87 ROCK2 (0.39) MAPK14ABL1MAPTKDM4EALDH1A1

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