SCHEMBL7544973

SCHEMBL7544973

COC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
ALDH1A1 P00352 2/20 0.77
MAPT P10636 2/20 0.77
KMT2A Q03164 2/20 0.77
MEN1 O00255 1/20 0.77
EPHX2 P34913 12/20 0.77
ALOX5 P09917 11/20 0.77
KDM4E B2RXH2 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALOX5AP P20292 1/20 0.56

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
SCHEMBL7551599 0.90 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7544458 0.89 NPC1 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7545168 0.89 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8769691 0.88 EPHX2 (0.84) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7548125 0.88 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7541535 0.87 ALDH1A1 (0.80) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7541569 0.87 NPC1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7542600 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7548133 0.87 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7543728 0.87 EPHX2 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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