SCHEMBL7544811

SCHEMBL7544811

COC(=O)N(c1ccc(OCc2nc3ccccc3s2)cc1C)C(OC(C)=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.53
EPHX2 P34913 10/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
ALOX5AP P20292 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL7546054 0.89 EPHX2 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548799 0.88 EPHX2 (0.52) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548782 0.88 ALOX5 (0.57) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543745 0.82 ALOX5 (0.53) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548666 0.82 NPC1 (0.61) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545587 0.81 NPC1 (0.60) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7545014 0.81 NPC1 (0.53) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7544269 0.81 ALOX5 (0.58) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542093 0.80 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543673 0.80 ALOX5 (0.54) ALOX5EPHX2NPC1RAB9AMAPT

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 2 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
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed