SCHEMBL7545883

SCHEMBL7545883

COC(=O)Nc1ccc(OCc2nc3cc([N+](=O)[O-])ccc3o2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.50
CEPT1 Q9Y6K0 1/20 0.49
MAPT P10636 6/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 1/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL7550212 0.85 RAB9A (0.51) CETPCEPT1MAPTNPC1ALDH1A1
SCHEMBL7543368 0.84 AGPAT2 (0.57) CETPCEPT1MAPTNPC1ALDH1A1
SCHEMBL7544185 0.83 MAPT (0.49) CETPCEPT1MAPTNPC1RAB9A
SCHEMBL7543732 0.83 AGPAT2 (0.58) CETPMAPTNPC1RAB9APOLB
SCHEMBL7545924 0.82 MAPT (0.47) CETPMAPTNPC1ALDH1A1RAB9A
SCHEMBL7544976 0.81 AGPAT2 (0.58) CETPMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7542952 0.81 SMN1; SMN2 (0.57) MAPTNPC1ALDH1A1RAB9APOLB
SCHEMBL7541102 0.80 NPC1 (0.45) CETPCEPT1MAPTNPC1ALDH1A1
SCHEMBL7542964 0.78 MAPT (0.56) CETPMAPTNPC1ALDH1A1RAB9A
SCHEMBL38661540 0.78 RAB9A (0.56) MAPTNPC1ALDH1A1RAB9APOLB

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