SCHEMBL7550253

SCHEMBL7550253

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
ALOX5 P09917 10/20 0.49
PTGER4 P35408 1/20 0.48
EPHX2 P34913 7/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX5AP P20292 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL7548242 0.89 DYRK1A (0.49) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7541690 0.88 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9AKMT2A
SCHEMBL7548069 0.87 ALOX5 (0.62) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7544993 0.87 DYRK1A (0.47) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7542041 0.86 DYRK1A (0.51) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7541360 0.86 ALOX5 (0.57) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7547564 0.85 SMN1; SMN2 (0.50) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7541330 0.83 DYRK1A (0.47) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7548790 0.83 ALOX5 (0.59) DYRK1AALOX5PTGER4EPHX2NPC1
SCHEMBL7541640 0.79 ALOX5 (0.60) ALOX5EPHX2NPC1RAB9AKMT2A

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