SCHEMBL28639867

SCHEMBL28639867

CCOC(=O)c1ncc(OC)c(C)c1SCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRA6 Q16445 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
DPP4 P27487 5/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
HSD17B2 P37059 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
MEN1 O00255 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL28005149 0.77 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19806262 0.72 NMT2 (0.38) ALDH1A1KDM4EHPGDKDM5BMEN1
SCHEMBL16498192 0.72 HPGD (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20733907 0.70 ALDH1A1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5820404 0.70 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL460319 0.70 HTT (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24212467 0.69 CA12 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29360771 0.69 CA12 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26502532 0.69 ALDH1A1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23413547 0.68 ALDH1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3

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
CN-109415357-B Condensed heterocyclic compound having hydrazone group or salt thereof, agricultural and horticultural insecticide containing the compound, and method for using the same 日本农药株式会社 2021-10-29 CN disclosed