SCHEMBL9980419

SCHEMBL9980419

CNS(=O)(=O)c1ccc(N2CCC(OC)CC2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 5/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
NR4A1 P22736 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TNNI3K Q59H18 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
SCHEMBL9980392 0.86 MEN1 (0.51) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL9980429 0.86 GAA (0.54) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL12067920 0.86 MEN1 (0.49) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL12065564 0.84 MEN1 (0.49) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL12066385 0.82 MAPT (0.72) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL9980483 0.81 MEN1 (0.46) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL9980390 0.81 RAB9A (0.65) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL1804039 0.79 KDM4E (0.62) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL12003698 0.77 TNNI3K (0.48) MEN1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL12065555 0.77 CA1 (0.48) MEN1KMT2AGAAL3MBTL1SMN1; 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
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed