SCHEMBL7544353

SCHEMBL7544353

CC(=O)Nc1ccc(OCc2nc3ccc(C)cc3s2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.62
EPHX2 P34913 8/20 0.62
ALOX5AP P20292 1/20 0.56
DYRK1A Q13627 2/20 0.52
MAPT P10636 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
THRB P10828 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 3/20 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
SCHEMBL7545138 0.92 ALOX5 (0.62) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7548333 0.92 ALOX5 (0.62) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7543795 0.91 ALOX5 (0.61) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7551595 0.90 ALOX5 (0.51) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7545085 0.90 ALOX5 (0.60) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7545175 0.90 ALOX5 (0.60) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7541316 0.88 ALOX5 (0.78) ALOX5EPHX2ALOX5APMAPTNPC1
SCHEMBL7546611 0.87 ALOX5 (0.57) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7541784 0.86 ALOX5 (0.58) ALOX5EPHX2ALOX5APDYRK1AMAPT
SCHEMBL7548209 0.85 EPHX2 (0.63) ALOX5EPHX2ALOX5APMAPTNPC1

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