SCHEMBL1703563

SCHEMBL1703563

COC(=O)C1=CC(=NO)CCN1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.33
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1703562 1.00 CHRM3 (0.33) CHRM3HSD17B10KDM4EALDH1A1
SCHEMBL1703184 0.79
SCHEMBL31457193 0.72 CHRM3 (0.37) CHRM3HSD17B10
SCHEMBL30543578 0.72 CHRM3 (0.37) CHRM3HSD17B10
SCHEMBL30543579 0.72 CHRM3 (0.37) CHRM3HSD17B10
SCHEMBL30543590 0.69 CHRM3 (0.35) CHRM3KDM4EALDH1A1
SCHEMBL30543581 0.69 CHRM3 (0.35) CHRM3KDM4EALDH1A1
SCHEMBL30543589 0.69 CHRM3 (0.35) CHRM3KDM4EALDH1A1
SCHEMBL2329266 0.67
SCHEMBL6729729 0.66 CHRM3 (0.38) CHRM3HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440526-A1 3-HALO-6-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2012-04-18 EP disclosed