SCHEMBL7548150

SCHEMBL7548150

COc1cc(NC(C)=O)ccc1OCc1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
STAT3 P40763 1/20 0.45
POLB P06746 1/20 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
SCHEMBL7545139 0.92 AGPAT2 (0.53) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL7548632 0.87 NPC1 (0.49) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL7545416 0.87 RORC (0.55) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL7544449 0.84 NPC1 (0.46) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL7547340 0.82 MEN1 (0.60) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL7547292 0.80 MAPT (0.52) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL7544358 0.80 AGPAT2 (0.52) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL7544713 0.80 AGPAT2 (0.60) KMT2AMAPTPOLBTP53THRB
SCHEMBL24129815 0.80 MAPT (0.43) MEN1KMT2AMAPTKDM4ERAB9A
SCHEMBL30354898 0.78 NPC1 (0.49) MAPTKDM4ERAB9ANPC1HSD17B10

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