SCHEMBL7541581

SCHEMBL7541581

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.57
EPHX2 P34913 6/20 0.57
DYRK1A Q13627 2/20 0.54
ALOX5AP P20292 2/20 0.52
PPARD Q03181 6/20 0.46
AKR1B1 P15121 3/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL7546611 0.92 ALOX5 (0.57) ALOX5EPHX2DYRK1AALOX5APPPARD
SCHEMBL7542575 0.91 ALOX5 (0.56) ALOX5EPHX2DYRK1AALOX5APPPARD
SCHEMBL7542888 0.90 DYRK1A (0.53) ALOX5EPHX2DYRK1AALOX5APPPARD
SCHEMBL7543772 0.90 DYRK1A (0.53) ALOX5EPHX2DYRK1AALOX5APAKR1B1
SCHEMBL7548069 0.87 ALOX5 (0.62) ALOX5EPHX2DYRK1AALOX5APNPC1
SCHEMBL7548333 0.87 ALOX5 (0.62) ALOX5EPHX2DYRK1AALOX5APPPARD
SCHEMBL7548708 0.86 DYRK1A (0.58) ALOX5EPHX2DYRK1AAKR1B1NPC1
SCHEMBL7544391 0.86 ALOX5 (0.61) ALOX5EPHX2DYRK1AALOX5APNPC1
SCHEMBL7545407 0.85 EPHX2 (0.66) ALOX5EPHX2ALOX5APPPARDNPC1
SCHEMBL7541020 0.85 DYRK1A (0.54) ALOX5EPHX2DYRK1AAKR1B1TRPV1

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