SCHEMBL7543899

SCHEMBL7543899

COC(=O)c1cccc2nc(COc3ccc(NC(C)=O)c(C)c3)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CETP P11597 1/20 0.43
ALOX5 P09917 6/20 0.42
EPHX2 P34913 6/20 0.42
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5AP P20292 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
GSTP1 P09211 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
SCHEMBL7543778 0.92 MAPT (0.45) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7543749 0.89 ALOX5 (0.45) MAPTHPGDCETPALOX5EPHX2
SCHEMBL7542652 0.86 ALOX5 (0.43) ALOX5EPHX2KDRRAB9AALOX5AP
SCHEMBL7544427 0.85 MEN1 (0.51) MAPTKDM4ECYP1A2CETPNPC1
SCHEMBL7543492 0.85 MAPT (0.45) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7547406 0.82 KDR (0.46) CETPALOX5EPHX2KDRALOX5AP
SCHEMBL7542425 0.82 ALOX5 (0.48) MAPTALOX5EPHX2KDRNPC1
SCHEMBL7548181 0.81 CETP (0.46) MAPTCETPALOX5EPHX2POLB
SCHEMBL7549421 0.80 MAPK13 (0.41) MAPTALOX5EPHX2KDRRAB9A
SCHEMBL7548871 0.80 KDR (0.44) ALOX5EPHX2KDRRAB9AALOX5AP

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