SCHEMBL4849488

SCHEMBL4849488

CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)[nH]c(C(F)(F)F)c(C)c2=O)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
BCAT1 P54687 10/20 0.37
BCAT2 O15382 9/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
DRD1 P21728 3/20 0.34

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
SCHEMBL29981219 0.87 BCAT1 (0.52) PPOXBCAT1BCAT2
SCHEMBL6639049 0.87 BCAT1 (0.52) PPOXBCAT1BCAT2
SCHEMBL21001303 0.86 PPOX (0.41) PPOXL3MBTL1MEN1KMT2AMAPT
Methane SCHEMBL27842573 0.86 BCAT1 (0.51) PPOXBCAT1BCAT2
SCHEMBL30238515 0.83 PPOX (0.41) PPOXL3MBTL1MEN1KMT2AMAPT
SCHEMBL29351496 0.81 PPOX (0.41) PPOXL3MBTL1BCAT1BCAT2MEN1
SCHEMBL121222 0.81 PPOX (0.41) PPOXL3MBTL1BCAT1BCAT2MEN1
SCHEMBL21616077 0.80 PPOX (0.40) PPOXL3MBTL1BCAT1BCAT2MEN1
SCHEMBL21307581 0.80 PPOX (0.40) PPOXL3MBTL1BCAT1BCAT2MEN1
SCHEMBL14856376 0.79 PPOX (0.40) PPOXL3MBTL1BCAT1BCAT2MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191465-A1 HERBICIDAL QUINOLINES Syngenta Participations AG (CH) 2017-07-19 EP disclosed
WO-2017032786-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-03-02 WO disclosed
WO-2016038173-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 WO disclosed
WO-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 WO disclosed
EP-1799657-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-06-27 EP disclosed
WO-2006037945-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-04-13 WO disclosed