SCHEMBL7544455

SCHEMBL7544455

COC(=O)N(COC(=O)c1cccnc1Cl)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.50
ALOX5 P09917 10/20 0.50
ALOX5AP P20292 1/20 0.48
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 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
SCHEMBL7547430 0.87 EPHX2 (0.57) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7550277 0.86 ALOX5 (0.54) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7543812 0.85 ALOX5 (0.54) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7542093 0.85 ALOX5 (0.54) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7543715 0.85 ALOX5 (0.48) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7548843 0.85 ALOX5 (0.51) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7542405 0.85 ALOX5 (0.51) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7546052 0.85 EPHX2 (0.53) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7544268 0.84 LMNA (0.57) EPHX2ALOX5ALOX5APMAPTL3MBTL1
SCHEMBL7550263 0.84 ALOX5 (0.58) EPHX2ALOX5ALOX5APMAPTL3MBTL1

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