SCHEMBL7543333

SCHEMBL7543333

CC(=O)Nc1ccc(OCc2nc3c(C(F)(F)F)cccc3s2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.55
EPHX2 P34913 8/20 0.55
ALOX5AP P20292 1/20 0.50
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARD Q03181 7/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL7548841 0.91 ALOX5 (0.54) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7541457 0.88 ALOX5 (0.56) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7541316 0.82 ALOX5 (0.78) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7541581 0.81 ALOX5 (0.57) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7546611 0.81 ALOX5 (0.57) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7547297 0.80 ALOX5 (0.59) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7551230 0.80 ALOX5 (0.58) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7549794 0.80 ALOX5 (0.55) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7551701 0.78 NPC1 (0.52) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL7541784 0.78 ALOX5 (0.58) ALOX5EPHX2ALOX5APNPC1MAPT

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