SCHEMBL7546689

SCHEMBL7546689

COc1cc(NC(C)=O)cc(OC)c1OCc1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
PKM P14618 2/20 0.58
EPHX2 P34913 9/20 0.54
ALOX5 P09917 8/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
SAE1 Q9UBE0 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
SCHEMBL7540889 0.91 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL7548791 0.88 EPHX2 (0.64) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL8663823 0.87 EPHX2 (0.61) NPC1RAB9ASMN1; SMN2MAPTEPHX2
SCHEMBL7541403 0.86 EPHX2 (0.60) NPC1RAB9ASMN1; SMN2MAPTEPHX2
SCHEMBL7548768 0.86 EPHX2 (0.56) NPC1RAB9ASMN1; SMN2MAPTEPHX2
SCHEMBL7548440 0.81 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL7544458 0.81 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MAPTEPHX2
SCHEMBL7548867 0.80 EPHX2 (0.81) NPC1RAB9ASMN1; SMN2MAPTEPHX2
SCHEMBL7542517 0.80 EPHX2 (0.62) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL7544315 0.80 EPHX2 (0.71) NPC1RAB9ASMN1; SMN2MAPTEPHX2

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