SCHEMBL7541426

SCHEMBL7541426

Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.74
EPHX2 P34913 13/20 0.74
ALOX5AP P20292 1/20 0.67
NPC1 O15118 3/20 0.60
MAPT P10636 3/20 0.60
RAB9A P51151 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL7541316 0.89 ALOX5 (0.78) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7547541 0.88 ALOX5 (0.76) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7542390 0.88 ALOX5 (0.76) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7548473 0.86 ALOX5 (0.74) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7547546 0.84 ALOX5 (0.74) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7541610 0.84 ALOX5 (0.71) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7541206 0.84 NPC1 (0.74) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7542910 0.84 EPHX2 (0.68) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7540856 0.83 ALOX5 (0.70) ALOX5EPHX2ALOX5APNPC1MAPT
SCHEMBL7543398 0.83 ALOX5 (0.70) 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