SCHEMBL7543869

SCHEMBL7543869

O=C(CCl)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
ALOX5 P09917 12/20 0.57
EPHX2 P34913 9/20 0.57
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGER4 P35408 1/20 0.49
ALOX5AP P20292 1/20 0.45

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
SCHEMBL7551726 0.91 MAPT (0.60) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7541638 0.88 NPC1 (0.61) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7548790 0.87 ALOX5 (0.59) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7543921 0.86 ALOX5 (0.56) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7546622 0.86 ALOX5 (0.58) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7545502 0.86 MAPT (0.61) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7551585 0.85 ALOX5 (0.57) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7540872 0.84 NPC1 (0.79) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL7544256 0.81 ALOX5 (0.57) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL8663322 0.81 PTGER4 (0.54) MAPTNPC1RAB9AALDH1A1KMT2A

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