SCHEMBL7544467

SCHEMBL7544467

CC(=O)Nc1ccc(OCc2nc3c(F)cccc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
RAB9A P51151 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX5 P09917 8/20 0.54
EPHX2 P34913 8/20 0.54
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 1/20 0.45
POLB P06746 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
SCHEMBL7544411 0.88 MAPT (0.55) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7549475 0.87 MAPT (0.49) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7549360 0.86 DYRK1A (0.59) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7542062 0.86 GAA (0.49) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7541457 0.84 ALOX5 (0.56) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7548194 0.82 KMT2A (0.54) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7544458 0.81 NPC1 (0.79) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7541248 0.81 MAPT (0.55) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7545312 0.78 MAPT (0.53) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL7545045 0.78 MAPT (0.53) KMT2ARAB9AMEN1ALDH1A1NPC1

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