SCHEMBL7545447

SCHEMBL7545447

COC(=O)Nc1ccc(OCc2nc3c(C(=O)OC)cccc3o2)cc1C

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
TOP2A P11388 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ALOX5 P09917 3/20 0.39
EPHX2 P34913 3/20 0.39
KMT2A Q03164 1/20 0.38
AGPAT2 O15120 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
PPARD Q03181 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 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
SCHEMBL7543492 0.92 MAPT (0.45) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7551743 0.90 AGPAT2 (0.47) MAPTALOX5EPHX2KMT2AAGPAT2
SCHEMBL7542460 0.85 SMN1; SMN2 (0.49) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7543778 0.85 MAPT (0.45) MAPTKDM4EHPGDCYP1A2CYP3A4
SCHEMBL7541413 0.83 LMNA (0.47) MAPTKDM4EHPGDNPC1RAB9A
SCHEMBL7547344 0.82 ALOX5AP (0.43) MAPTKDM4ENPC1RAB9AALOX5
SCHEMBL7543761 0.82 MAPT (0.46) MAPTKDM4EHPGDCYP3A4NPC1
SCHEMBL7544939 0.81 MAOB (0.43) MAPTMAOBMAOAALOX5EPHX2
SCHEMBL7550243 0.79 MEN1 (0.51) MAPTHPGDCYP1A2TOP2ANPC1
SCHEMBL7550333 0.79 MAPT (0.46) MAPTKDM4EHPGDNPC1RAB9A

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