SCHEMBL14977606

SCHEMBL14977606

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.41
DGAT2 Q96PD7 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2C8 P10632 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 2/20 0.34
ABL1 P00519 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL14977610 0.93 DGAT2 (0.38) MAPK14DGAT2ACSS2NPC1RAB9A
SCHEMBL14977138 0.93 MAPK14 (0.37) MAPK14NPC1RAB9AMAPTALDH1A1
SCHEMBL14977569 0.92 MAPK14 (0.37) MAPK14DGAT2ACSS2CYP2C8KCNH2
SCHEMBL14977581 0.92 MAPK14 (0.39) MAPK14ACSS2CYP2C8KCNH2MAPT
SCHEMBL14977313 0.92 ABL1 (0.41) MAPK14DGAT2NPC1RAB9AMAPT
SCHEMBL14986306 0.92 MAPK14 (0.37) MAPK14ACSS2CYP2C8KCNH2MAPT
SCHEMBL14977598 0.91 CNR1 (0.42) MAPK14NPC1RAB9AALDH1A1
SCHEMBL14977625 0.91 RIPK2 (0.36) MAPK14NPC1RAB9AMAPTKDM4E
SCHEMBL14977247 0.91 MAPK14 (0.38) MAPK14ACSS2CYP2C8KCNH2MAPT
SCHEMBL14977618 0.91 LHCGR (0.41) MAPK14DGAT2NPC1RAB9AMAPT

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