SCHEMBL7550319

SCHEMBL7550319

CC(=O)N(C(=O)c1ccco1)c1ccc(OCc2nc3ccccc3s2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.52
ALOX5 P09917 8/20 0.51
EPHX2 P34913 8/20 0.51
ALOX5AP P20292 1/20 0.47
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 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
SCHEMBL7548813 0.88 NPC1 (0.64) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548731 0.86 ALOX5 (0.57) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7544544 0.83 LMNA (0.57) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7546632 0.83 MAPT (0.53) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7544438 0.82 NPC1 (0.56) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7541552 0.82 ALOX5 (0.56) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7545037 0.81 NPC1 (0.62) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL8669827 0.80 NPC1 (0.54) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7548666 0.80 NPC1 (0.61) NPC1RAB9AMAPTL3MBTL1HTT
SCHEMBL7544268 0.80 LMNA (0.57) NPC1RAB9AMAPTL3MBTL1HTT

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