SCHEMBL2596682

SCHEMBL2596682

COC(=O)Oc1nc(-c2ccc(Cl)c(OC)c2F)nc(N)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.36
DHPS P49366 5/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN9A Q15858 2/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
GAA P10253 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL17745513 0.92 DHPS (0.38) MEP1BDHPSSCN10ATAS1R3TAS1R1
SCHEMBL2596704 0.91 DHPS (0.33) MEP1BDHPSSCN10AKDM4EALDH1A1
SCHEMBL2596681 0.91 ALDH1A1 (0.38) MEP1BDHPSSCN10ATAS1R3TAS1R1
SCHEMBL2596690 0.89 DHPS (0.33) MEP1BDHPSTAS1R3TAS1R1TAS1R2
SCHEMBL2596711 0.89 DHPS (0.34) MEP1BDHPSTAS1R3TAS1R1KDM4E
SCHEMBL2596683 0.88 DHPS (0.32) MEP1BDHPSSCN10A
SCHEMBL17745506 0.86 MEP1B (0.35) MEP1BDHPSSCN10ATAS1R3TAS1R1
SCHEMBL2596706 0.86 MEP1B (0.34) MEP1BDHPS
SCHEMBL16712286 0.84 MEP1B (0.37) MEP1BSCN10ATAS1R3TAS1R1TAS1R2
SCHEMBL17745511 0.82 ALDH1A1 (0.38) MEP1BDHPSSCN10ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571364-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT RICE CULTURES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP claimed
EP-2571366-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT CORN CULTURES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP claimed
EP-2571365-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT GRAIN CULTURES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP claimed
EP-2571363-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT RAPE CULTURES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP claimed
EP-2524602-A1 Herbicide agent for tolerant or resistant soya cultures Bayer CropScience AG (DE) 2012-11-21 EP claimed
WO-2011144684-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT RICE CULTURES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO claimed
WO-2011144685-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT GRAIN CULTURES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO claimed
WO-2011144691-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT CORN CULTURES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO claimed
WO-2011144683-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT RAPE CULTURES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO claimed