SCHEMBL7541206

SCHEMBL7541206

CC(C)(C)C(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
ALDH1A1 P00352 2/20 0.74
MAPT P10636 2/20 0.74
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
EPHX2 P34913 11/20 0.73
ALOX5 P09917 10/20 0.73
KDM4E B2RXH2 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
TP53 P04637 1/20 0.61
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX5AP P20292 1/20 0.54

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
SCHEMBL7544458 0.87 NPC1 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7544973 0.86 NPC1 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8769691 0.86 EPHX2 (0.84) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7541569 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7542600 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7543728 0.85 EPHX2 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7541426 0.84 ALOX5 (0.74) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7551599 0.83 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7541535 0.83 ALDH1A1 (0.80) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7540872 0.83 NPC1 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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