SCHEMBL7546594

SCHEMBL7546594

COC(=O)N(COC(=O)c1cccs1)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ALOX5 P09917 11/20 0.49
EPHX2 P34913 11/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
ALOX5AP P20292 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 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
SCHEMBL7550277 0.88 ALOX5 (0.54) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7543812 0.87 ALOX5 (0.54) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7542093 0.87 ALOX5 (0.54) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7548843 0.87 ALOX5 (0.51) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7542405 0.87 ALOX5 (0.51) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7550263 0.86 ALOX5 (0.58) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7541072 0.86 ALOX5 (0.53) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7545142 0.86 ALOX5 (0.53) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7547430 0.85 EPHX2 (0.57) SMN1; SMN2ALOX5EPHX2MAPTNPC1
SCHEMBL7548796 0.85 ALOX5 (0.52) SMN1; SMN2ALOX5EPHX2MAPTNPC1

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