SCHEMBL22563887

SCHEMBL22563887

CN(N)C(=O)N(N)c1cccc(Cl)c1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
NOTUM Q6P988 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL22564432 0.82 MYC (0.34) ALDH1A1POLBMAPTTSHRGAA
SCHEMBL18030820 0.82 ALDH1A1 (0.40) AOC3ALDH1A1POLBMAPTTSHR
SCHEMBL22563802 0.81 TDP1 (0.35) AOC3ALDH1A1POLBMAPTTSHR
SCHEMBL22563847 0.81 GAA (0.30) ALDH1A1MAPTTSHRGAATP53
SCHEMBL22563982 0.80 ALDH1A1 (0.31) ALDH1A1MAPTTSHRGAATP53
SCHEMBL22564445 0.79 GABRA1 (0.36) ALDH1A1GABRA1GABRB2TSHRTP53
SCHEMBL22590903 0.78 HTT (0.40) AOC3HTTALDH1A1GABRPGABRD
SCHEMBL22564109 0.78 NPSR1 (0.42) ALDH1A1POLBTSHRTP53SMN1; SMN2
SCHEMBL22564454 0.78
SCHEMBL22564438 0.78 CA12 (0.39) AOC3NOTUMALDH1A1POLBMAPT

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-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed