SCHEMBL12636746

SCHEMBL12636746

[C-]#[N+]c1c(C(C)(C)C)c(C#N)c(/N=N/c2c(C(C)(C)C)nn(-c3ccccc3)c2N)n1CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 11/20 0.34
RAB9A P51151 9/20 0.34
NPC1 O15118 8/20 0.34
SMN1; SMN2 Q16637 8/20 0.34
MAPK1 P28482 6/20 0.34
TDP1 Q9NUW8 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 5/20 0.33
NFKB1 P19838 3/20 0.33
NFKB2 Q00653 3/20 0.33
RELA Q04206 3/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL12636747 0.95 GAA (0.38) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636701 0.80 GAA (0.45) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636706 0.77 GAA (0.43) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636700 0.77 GAA (0.44) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636709 0.76 GAA (0.46) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL92470 0.73 RAB9A (0.42) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636733 0.71 RAB9A (0.40) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13310786 0.70 GAA (0.42) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10106113 0.70 GAA (0.43) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636726 0.70 MAPT (0.41) 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