SCHEMBL10696604

SCHEMBL10696604

N#C/C(N)=C(C#N)\N=C\c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HBB P68871 1/20 0.42
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10696609 1.00 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10696612 1.00 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10694197 0.81 GAA (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10694188 0.81 GAA (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10694192 0.81 GAA (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8645205 0.79 GAA (0.52) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL10695223 0.78 MAPT (0.51) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL10695228 0.78 ALDH1A1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10695230 0.78 MAPT (0.51) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL10695227 0.78 MAPT (0.51) GAAMAPTALDH1A1KDM4EKMT2A

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