SCHEMBL7542952

SCHEMBL7542952

COC(=O)Nc1ccc(OCc2nc3ccccc3o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
AGPAT2 O15120 1/20 0.52
PDE10A Q9Y233 1/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 5/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.46
TP53 P04637 4/20 0.45

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
SCHEMBL7547340 0.89 MEN1 (0.60) SMN1; SMN2NPC1RAB9APDE10AMEN1
SCHEMBL7550212 0.86 RAB9A (0.51) SMN1; SMN2NPC1RAB9AAGPAT2KMT2A
SCHEMBL11033217 0.85 PDE10A (0.52) SMN1; SMN2NPC1RAB9APDE10AMEN1
SCHEMBL7542964 0.85 MAPT (0.56) SMN1; SMN2NPC1RAB9AAGPAT2PDE10A
SCHEMBL7543368 0.85 AGPAT2 (0.57) SMN1; SMN2NPC1RAB9AAGPAT2KMT2A
SCHEMBL7551347 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AAGPAT2PDE10A
SCHEMBL7543732 0.84 AGPAT2 (0.58) SMN1; SMN2NPC1RAB9AAGPAT2MAPT
SCHEMBL7544185 0.84 MAPT (0.49) SMN1; SMN2NPC1RAB9AAGPAT2MAPT
SCHEMBL7541707 0.83 MAPT (0.52) SMN1; SMN2NPC1RAB9APDE10AMAPT
SCHEMBL7545924 0.83 MAPT (0.47) SMN1; SMN2NPC1RAB9AAGPAT2PDE10A

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