SCHEMBL7545263

SCHEMBL7545263

CC(=O)N(CCOC(=O)C1CCC1)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX5 P09917 11/20 0.48
EPHX2 P34913 7/20 0.48
ALOX5AP P20292 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7542416 0.88 NPC1 (0.55) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7547264 0.86 NPC1 (0.52) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7545002 0.85 NPC1 (0.52) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7549389 0.85 ALOX5 (0.52) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7547306 0.84 NPC1 (0.51) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7544421 0.84 NPC1 (0.54) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7542368 0.84 ALOX5 (0.50) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7548365 0.84 NPC1 (0.58) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7550284 0.83 ALOX5 (0.49) NPC1MAPTRAB9AHTTL3MBTL1
SCHEMBL7541275 0.83 NPC1 (0.49) NPC1MAPTRAB9AHTTL3MBTL1

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
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed