SCHEMBL7543795

SCHEMBL7543795

COc1ccc2nc(COc3ccc(NC(C)=O)c(C)c3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.61
EPHX2 P34913 6/20 0.61
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
DYRK1A Q13627 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALOX5AP P20292 1/20 0.55
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL7543961 0.92 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7544391 0.92 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7544353 0.91 ALOX5 (0.62) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7541718 0.89 SMN1; SMN2 (0.56) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7544900 0.89 NPC1 (0.56) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7545175 0.89 ALOX5 (0.60) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7541316 0.87 ALOX5 (0.78) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7546611 0.86 ALOX5 (0.57) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7541627 0.86 NPC1 (0.55) ALOX5EPHX2NPC1RAB9AHTT
SCHEMBL7541784 0.85 ALOX5 (0.58) ALOX5EPHX2NPC1RAB9AHTT

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