SCHEMBL4791199

SCHEMBL4791199

Cn1ccnc1-c1ccc2nc(COc3cccc(C(N)=O)c3F)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
SYK P43405 3/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ROCK2 O75116 3/20 0.32
TBXAS1 P24557 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MYC P01106 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL200933 0.86 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL4759096 0.75 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL201552 0.74 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL2316778 0.71 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL2706693 0.71 MET (0.33) NPC1RAB9ASYKROCK2MYC
SCHEMBL4894941 0.70 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL203165 0.69 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL27738132 0.68 NPC1 (0.45) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL202304 0.64 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL203725 0.63 NPC1 (0.50) NPC1RAB9AMAPTROCK2MEN1

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
EP-1996180-A1 ANTIBACTERIAL AGENTS Prolysis Limited (GB) 2008-12-03 EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO disclosed