SCHEMBL7547352

SCHEMBL7547352

CC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1OC(F)F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.57
EPHX2 P34913 12/20 0.57
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX5AP P20292 1/20 0.52
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7544993 0.89 DYRK1A (0.47) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7548440 0.88 SMN1; SMN2 (0.66) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7543930 0.87 ALOX5 (0.60) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7549661 0.86 ALOX5 (0.57) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7541690 0.86 ALOX5 (0.59) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7547625 0.85 ALOX5 (0.62) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7545496 0.84 ALOX5 (0.63) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7541316 0.84 ALOX5 (0.78) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7541640 0.83 ALOX5 (0.60) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7542457 0.83 ALOX5 (0.62) ALOX5EPHX2MAPTSMN1; SMN2ALDH1A1

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