SCHEMBL10696561

SCHEMBL10696561

N#CC(N)=C(C#N)N=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
GAA P10253 4/20 0.61
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GABRA1 P14867 4/20 0.49
GABRG2 P18507 4/20 0.49
GABRB3 P28472 4/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL10696555 1.00 MAPT (0.61) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL10696551 1.00 MAPT (0.61) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL9226658 0.84 MAPT (0.50) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL9226661 0.84 MAPT (0.50) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL10695231 0.83 ALDH1A1 (0.70) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL10695228 0.83 ALDH1A1 (0.70) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL10695224 0.83 ALDH1A1 (0.70) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL9225905 0.82 GAA (0.48) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL9225907 0.82 GAA (0.48) MAPTGAAGRIN2DGRIN3BGRIN1
SCHEMBL10695150 0.80 GAA (0.70) MAPTGAAGRIN2DGRIN3BGRIN1

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-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed