SCHEMBL7542181

SCHEMBL7542181

CCCCC(=O)OCN(C(=O)OC)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
ALOX5 P09917 7/20 0.50
EPHX2 P34913 7/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5AP P20292 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7541628 0.95 ALOX5 (0.51) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7541072 0.92 ALOX5 (0.53) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7548410 0.91 ALOX5 (0.51) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7542097 0.90 ALOX5 (0.49) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7548796 0.89 ALOX5 (0.52) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7545448 0.89 ALOX5 (0.52) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7546052 0.89 EPHX2 (0.53) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7542093 0.88 ALOX5 (0.54) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7543812 0.88 ALOX5 (0.54) L3MBTL1ALOX5EPHX2MAPTNPC1
SCHEMBL7549563 0.88 ALOX5 (0.51) L3MBTL1ALOX5EPHX2MAPTNPC1

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