SCHEMBL7541777

SCHEMBL7541777

COC(=O)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.61
EPHX2 P34913 7/20 0.61
ALOX5AP P20292 1/20 0.56
PTGER4 P35408 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
DYRK1A Q13627 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7544370 0.92 ALOX5 (0.59) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7548069 0.91 ALOX5 (0.62) ALOX5EPHX2ALOX5APPTGER4NPC1
SCHEMBL7542358 0.91 ALOX5 (0.62) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7545438 0.90 ALOX5 (0.61) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7544620 0.89 MAPT (0.50) ALOX5EPHX2ALOX5APPTGER4NPC1
SCHEMBL7546650 0.88 EPHX2 (0.65) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7542575 0.87 ALOX5 (0.56) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7542390 0.87 ALOX5 (0.76) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7546622 0.85 ALOX5 (0.58) ALOX5EPHX2PTGER4NPC1RAB9A
SCHEMBL7545138 0.85 ALOX5 (0.62) ALOX5EPHX2ALOX5APNPC1RAB9A

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 6 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 claimed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US claimed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP claimed
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