SCHEMBL169348

SCHEMBL169348

C=Cc1c([AsH2])nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEP1B Q16820 1/20 0.35
KMO O15229 1/20 0.34
ACLY P53396 4/20 0.32
TSHR P16473 1/20 0.30
TPMT P51580 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL117271 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10MEP1BKMO
SCHEMBL12338387 0.78 MEP1B (0.35) ALDH1A1KDM4EHSD17B10MEP1BTAS1R3
SCHEMBL721119 0.78 MEP1B (0.37) ALDH1A1KDM4EHSD17B10MEP1BACLY
SCHEMBL119850 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MEP1BKMO
SCHEMBL16712267 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10MEP1BKMO
SCHEMBL2683138 0.77 MEP1B (0.31) ALDH1A1KDM4EHSD17B10MEP1BTSHR
SCHEMBL116824 0.77 MEP1B (0.36) ALDH1A1KDM4EHSD17B10MEP1BACLY
SCHEMBL1918693 0.77 KDM4E (0.36) ALDH1A1KDM4EHSD17B10MEP1BKMO
SCHEMBL3787770 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10MEP1BKMO
SCHEMBL1935648 0.77 HPGD (0.37) ALDH1A1KDM4EHSD17B10MEP1BKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424367-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION Syngenta Limited (GB) 2012-03-07 EP disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO disclosed