SCHEMBL7542652

SCHEMBL7542652

CC(=O)Nc1ccc(OCc2nc3cccc(F)c3o2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.43
EPHX2 P34913 6/20 0.43
RAB9A P51151 2/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 2/20 0.40
ALOX5AP P20292 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK14 Q16539 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL7548871 0.91 KDR (0.44) ALOX5EPHX2RAB9AKDRKMT2A
SCHEMBL7543749 0.91 ALOX5 (0.45) ALOX5EPHX2KDRKMT2AALOX5AP
SCHEMBL7549421 0.88 MAPK13 (0.41) ALOX5EPHX2RAB9AKDRALOX5AP
SCHEMBL7543899 0.86 MAPT (0.45) ALOX5EPHX2RAB9AKDRKMT2A
SCHEMBL7542425 0.83 ALOX5 (0.48) ALOX5EPHX2RAB9AKDRKMT2A
SCHEMBL7548181 0.82 CETP (0.46) ALOX5EPHX2SMN1; SMN2
SCHEMBL7547406 0.82 KDR (0.46) ALOX5EPHX2KDRKMT2AALOX5AP
SCHEMBL7541499 0.81 DRD2 (0.47) ALOX5EPHX2KDRMAOAMAOB
SCHEMBL7547636 0.81 DRD2 (0.46) ALOX5EPHX2KDRMAPK13MAPK14
SCHEMBL7544432 0.80 ALOX5 (0.44) ALOX5EPHX2ALOX5APMAOAMAOB

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