SCHEMBL7541434

SCHEMBL7541434

COC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALDH1A1 P00352 2/20 0.66
ALOX5 P09917 12/20 0.61
EPHX2 P34913 12/20 0.61
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PKM P14618 2/20 0.56
ALOX5AP P20292 1/20 0.55
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL7548440 0.92 SMN1; SMN2 (0.66) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7542390 0.88 ALOX5 (0.76) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7543872 0.88 ALOX5 (0.61) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7545486 0.88 ALOX5 (0.69) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7548261 0.88 ALOX5 (0.61) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7544620 0.87 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7544152 0.86 ALOX5 (0.59) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL27559812 0.86 ALOX5 (0.59) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7544628 0.86 ALOX5 (0.59) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2
SCHEMBL7541040 0.85 ALOX5 (0.58) MAPTSMN1; SMN2ALDH1A1ALOX5EPHX2

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