SCHEMBL7548708

SCHEMBL7548708

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.58
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALOX5 P09917 7/20 0.53
EPHX2 P34913 7/20 0.53
TRPV1 Q8NER1 3/20 0.52
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AKR1B1 P15121 2/20 0.47
AGPAT2 O15120 1/20 0.47
CSNK1D P48730 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL7541581 0.86 ALOX5 (0.57) DYRK1AMAPTNPC1RAB9AALOX5
SCHEMBL7548790 0.86 ALOX5 (0.59) DYRK1AALDH1A1MAPTNPC1RAB9A
SCHEMBL7542888 0.85 DYRK1A (0.53) DYRK1AALDH1A1MAPTNPC1RAB9A
SCHEMBL7543772 0.85 DYRK1A (0.53) DYRK1AALOX5EPHX2TRPV1AKR1B1
SCHEMBL7543452 0.85 NPC1 (0.58) DYRK1AALDH1A1MAPTNPC1RAB9A
SCHEMBL7548568 0.85 NPC1 (0.61) DYRK1AALDH1A1MAPTNPC1RAB9A
SCHEMBL7541432 0.84 EPHX2 (0.65) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7541248 0.83 MAPT (0.55) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7544458 0.81 NPC1 (0.79) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7541020 0.80 DYRK1A (0.54) DYRK1AALOX5EPHX2TRPV1AKR1B1

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