SCHEMBL12636723

SCHEMBL12636723

CN(C)S(=O)(=O)n1nc(C(C)(C)C)c(C#N)c1/N=N/c1c(C(C)(C)C)nn(-c2ccccc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
MAPT P10636 13/20 0.36
RAB9A P51151 10/20 0.36
NPC1 O15118 9/20 0.36
SMN1; SMN2 Q16637 9/20 0.36
TDP1 Q9NUW8 6/20 0.36
HPGD P15428 5/20 0.36
ALDH1A1 P00352 2/20 0.36
RIPK2 O43353 3/20 0.36
LMNA P02545 6/20 0.35
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
PLA2G1B P04054 2/20 0.35
ATG4B Q9Y4P1 2/20 0.35
MAPK1 P28482 6/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL12636700 0.82 GAA (0.44) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636709 0.80 GAA (0.46) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636701 0.78 GAA (0.45) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636703 0.78 ALDH1A1 (0.44) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13310786 0.77 GAA (0.42) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636726 0.77 MAPT (0.41) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636706 0.77 GAA (0.43) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636711 0.76 MAPT (0.40) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13767593 0.74 MAPT (0.40) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10106113 0.73 GAA (0.43) GAAMAPTRAB9ANPC1SMN1; 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-7947625-B2 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-20070202282-A1 Ink sheet for heat-sensitive transfer recording material, heat-sensitive transfer recording method, ink cartridge and azo dye FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed