SCHEMBL7543960

SCHEMBL7543960

COc1ccc2nc(COc3ccc(N(C)C(=O)O)c(C)c3)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.48
EPHX2 P34913 6/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PPARD Q03181 4/20 0.44
SCD O00767 1/20 0.44
ALOX5AP P20292 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL7544365 0.89 ALOX5 (0.47) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7543617 0.88 NPC1 (0.62) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7541771 0.83 ALOX5 (0.49) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7545587 0.80 NPC1 (0.60) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7545037 0.79 NPC1 (0.62) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7543795 0.78 ALOX5 (0.61) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7543961 0.78 ALOX5 (0.61) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7548813 0.76 NPC1 (0.64) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7548666 0.74 NPC1 (0.61) ALOX5EPHX2MAPTNPC1RAB9A
SCHEMBL7543779 0.74 NPC1 (0.58) ALOX5EPHX2MAPTNPC1RAB9A

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 1 patent. 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 claimed