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Demeton S

Demeton S

SCHEMBL10463236

CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC.CS(C)(=O)=O

nearest known ligand 0.64

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
Demeton S SCHEMBL117917 0.94 MEN1 (0.72) MEN1KMT2ATDP1ALDH1A1CYP3A4
Demeton S SCHEMBL21437107 0.92 MEN1 (0.68) MEN1KMT2ATDP1ALDH1A1CYP3A4
Demeton S SCHEMBL21357381 0.89 MEN1 (0.64) MEN1KMT2ATDP1ALDH1A1CYP3A4
Demeton S SCHEMBL20544186 0.87 ALDH1A1 (0.52) MEN1KMT2ATDP1ALDH1A1CYP3A4
Demeton S SCHEMBL6047157 0.86 MEN1 (0.58) MEN1KMT2ATDP1ALDH1A1CYP3A4
Demeton S SCHEMBL6047148 0.84 MEN1 (0.57) MEN1KMT2ATDP1ALDH1A1CYP3A4
Demeton S SCHEMBL6732303 0.80 ALDH1A1 (0.59) MEN1KMT2ATDP1ALDH1A1CYP3A4
Demeton S SCHEMBL117918 0.80 ALDH1A1 (0.59) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL119049 0.80 TDP1 (1.00) MEN1KMT2ATDP1ALDH1A1CYP3A4
SCHEMBL2180857 0.78 ALDH1A1 (0.47) MEN1KMT2ATDP1ALDH1A1CYP3A4

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
US-4954529-A MITICIDES, INSECTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-04 — — US disclosed