SCHEMBL7540889

SCHEMBL7540889

COC(=O)Nc1cc(OC)c(OCc2nc3ccccc3s2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PKM P14618 2/20 0.58
EPHX2 P34913 11/20 0.54
ALOX5 P09917 10/20 0.54
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
HTT P42858 1/20 0.51
SAE1 Q9UBE0 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL7546689 0.91 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7543882 0.88 EPHX2 (0.64) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7544973 0.82 NPC1 (0.77) NPC1RAB9AMAPTSMN1; SMN2EPHX2
SCHEMBL7549703 0.82 EPHX2 (0.79) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7541434 0.81 MAPT (0.66) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7542556 0.81 EPHX2 (0.63) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7544364 0.81 EPHX2 (0.69) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7548791 0.80 EPHX2 (0.64) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7545899 0.79 EPHX2 (0.53) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL7549749 0.79 EPHX2 (0.57) NPC1RAB9AMAPTSMN1; SMN2PKM

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