SCHEMBL7543727

SCHEMBL7543727

COC(=O)Nc1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 9/20 0.45
RECQL P46063 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
THRB P10828 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
SCHEMBL7544449 0.91 NPC1 (0.46) MAPTRECQLKDM4EPOLBMEN1
SCHEMBL7545139 0.85 AGPAT2 (0.53) AGPAT2MAPTKDM4EMEN1KMT2A
SCHEMBL7544713 0.84 AGPAT2 (0.60) AGPAT2MAPTPOLBKMT2ATHRB
SCHEMBL7544358 0.84 AGPAT2 (0.52) AGPAT2ALDH1A1MAPTKDM4EPOLB
SCHEMBL7544331 0.81 RAB9A (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7542952 0.79 SMN1; SMN2 (0.57) AGPAT2ALDH1A1MAPTRECQLKDM4E
SCHEMBL7544956 0.79 EPHX2 (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7548150 0.77 MEN1 (0.50) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL7548632 0.75 NPC1 (0.49) ALDH1A1MAPTKDM4EPOLBMEN1
SCHEMBL7545416 0.75 RORC (0.55) AGPAT2ALDH1A1MAPTKDM4EPOLB

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