SCHEMBL7544939

SCHEMBL7544939

CC(=O)Nc1ccc(OCc2nc3c(C)cccc3o2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
ALOX5 P09917 5/20 0.41
EPHX2 P34913 5/20 0.41
CEPT1 Q9Y6K0 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AGPAT2 O15120 1/20 0.39
TP53 P04637 1/20 0.39
PPARD Q03181 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSTP1 P09211 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7551743 0.91 AGPAT2 (0.47) ALOX5EPHX2CEPT1MAPTMEN1
SCHEMBL7543492 0.89 MAPT (0.45) MAOBMAOAALOX5EPHX2MAPT
SCHEMBL7542425 0.86 ALOX5 (0.48) MAOBMAOAALOX5EPHX2MAPT
SCHEMBL7543749 0.83 ALOX5 (0.45) MAOBMAOAALOX5EPHX2MAPT
SCHEMBL7545447 0.81 MAPT (0.45) MAOBMAOAALOX5EPHX2MAPT
SCHEMBL7542942 0.81 AGPAT2 (0.43) MAOBMAOAALOX5EPHX2CEPT1
SCHEMBL7544004 0.81 MAPT (0.46) ALOX5EPHX2MAPTMEN1KMT2A
SCHEMBL7548836 0.80 MAPT (0.46) CEPT1MAPTMEN1KMT2ATP53
SCHEMBL7541140 0.79 LMNA (0.53) MAOBMAOAALOX5EPHX2MAPT
SCHEMBL7547636 0.79 DRD2 (0.46) ALOX5EPHX2CEPT1MAPTTP53

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