SCHEMBL11268199

SCHEMBL11268199

CCc1cccc(CC)c1-n1cc(C#N)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.45
NPEPPS P55786 2/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPK1 P28482 2/20 0.36
DAO P14920 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GALR3 O60755 1/20 0.35
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL11249041 0.92 GAA (0.55) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11264651 0.86 GAA (0.53) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11245190 0.82 GAA (0.63) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11250396 0.79 GAA (0.56) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11251848 0.79 GAA (0.56) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11248107 0.79 L3MBTL1 (0.61) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11237786 0.77 GAA (0.51) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11239058 0.77 L3MBTL1 (0.67) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11243717 0.77 GAA (0.56) GAAL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL11258384 0.77 GAA (0.56) GAAL3MBTL1KMT2AMEN1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4358591-A BACTERICIDES, FUNGICIDES; PLANT DISEASES ZOECON CORPORATION (US) 1982-11-09 US disclosed
US-4307098-A 2-PHENYL-URACIL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-22 US disclosed