SCHEMBL2596720

SCHEMBL2596720

COc1c(Cl)ccc(-c2nc(C)c(Cl)c(N)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHPS P49366 4/20 0.38
DPP4 P27487 3/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
MEP1B Q16820 1/20 0.32
AMY1A P0DUB6 1/20 0.31
ILK Q13418 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL1397098 0.83 DHPS (0.51) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL29443526 0.81 ALDH1A1 (0.41) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL678359 0.81 ALDH1A1 (0.41) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL12364193 0.81 MEP1B (0.36) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL2596681 0.80 ALDH1A1 (0.38) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL679753 0.80 KDM4E (0.38) DHPSMEP1BKDM4EALDH1A1HSD17B10
SCHEMBL679154 0.80 ALDH1A1 (0.40) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL29769728 0.80 KDM4E (0.38) DHPSMEP1BKDM4EALDH1A1HSD17B10
Potassium SCHEMBL679156 0.80 ALDH1A1 (0.40) DHPSDPP4HTR1AHTR1DHTR2C
SCHEMBL13075707 0.79 ALDH1A1 (0.42) MEP1BKDM4EALDH1A1HSD17B10PTPN11

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-2571366-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT CORN CULTURES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP disclosed
EP-2571365-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT GRAIN CULTURES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP disclosed
EP-2571363-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT RAPE CULTURES Bayer Intellectual Property GmbH (DE) 2013-03-27 EP disclosed
WO-2011144683-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT RAPE CULTURES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO disclosed
WO-2011144691-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT CORN CULTURES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO disclosed
WO-2011144685-A1 HERBICIDAL AGENTS FOR TOLERANT OR RESISTANT GRAIN CULTURES BAYER CROPSCIENCE AG (DE) 2011-11-24 WO disclosed