SCHEMBL7544331

SCHEMBL7544331

COC(=O)Nc1ccc(OCc2nc3ccccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.46
MAPK1 P28482 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL7544961 0.91 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL7541413 0.85 LMNA (0.47) RAB9ANPC1MAPK1MAPTPOLB
SCHEMBL7545865 0.84 AGPAT2 (0.49) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL7542484 0.84 MAPT (0.52) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL7541142 0.84 PDE10A (0.45) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL27486934 0.82 PDE10A (0.44) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL7541593 0.82 PDE10A (0.43) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL7543727 0.81 AGPAT2 (0.48) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL7542952 0.79 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1MAPK1MAPT
SCHEMBL7551610 0.79 ALOX5 (0.57) RAB9ASMN1; SMN2NPC1MAPK1MAPT

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