SCHEMBL7543728

SCHEMBL7543728

O=C(S)Nc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.78
ALOX5 P09917 11/20 0.78
NPC1 O15118 5/20 0.75
RAB9A P51151 4/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
ALDH1A1 P00352 2/20 0.75
MAPT P10636 2/20 0.75
KMT2A Q03164 2/20 0.75
MEN1 O00255 1/20 0.75
KDM4E B2RXH2 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALOX5AP P20292 1/20 0.54

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
SCHEMBL8769691 0.89 EPHX2 (0.84) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544458 0.88 NPC1 (0.79) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7543746 0.88 NPC1 (0.72) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7544973 0.87 NPC1 (0.77) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7541569 0.86 NPC1 (0.76) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7540872 0.86 NPC1 (0.79) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7542600 0.86 NPC1 (1.00) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7541206 0.85 NPC1 (0.74) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7543735 0.84 ALOX5 (0.76) EPHX2ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL7551599 0.84 NPC1 (0.76) EPHX2ALOX5NPC1RAB9ASMN1; SMN2

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