SCHEMBL7546052

SCHEMBL7546052

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.53
ALOX5 P09917 13/20 0.53
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5AP P20292 1/20 0.50
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7541072 0.92 ALOX5 (0.53) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7548796 0.91 ALOX5 (0.52) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7541628 0.91 ALOX5 (0.51) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7542093 0.90 ALOX5 (0.54) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7543812 0.90 ALOX5 (0.54) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7549563 0.90 ALOX5 (0.51) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7548410 0.90 ALOX5 (0.51) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7544804 0.90 ALOX5 (0.53) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7550263 0.89 ALOX5 (0.58) EPHX2ALOX5NPC1MAPTRAB9A
SCHEMBL7542181 0.89 L3MBTL1 (0.57) EPHX2ALOX5NPC1MAPTRAB9A

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 2 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
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed