SCHEMBL7543383

SCHEMBL7543383

COC(=O)Nc1ccc(OCc2nc3cccc(OC)c3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALOX5 P09917 9/20 0.54
EPHX2 P34913 9/20 0.54
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.44
PTPRE P23469 1/20 0.43
KDR P35968 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
SCHEMBL7543692 0.91 MAPT (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7543836 0.89 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7548826 0.88 EPHX2 (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7543782 0.88 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7548162 0.84 ALOX5 (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7545040 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7544973 0.83 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7545465 0.79 MEN1 (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7545050 0.79 MAPT (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7548194 0.78 KMT2A (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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