SCHEMBL12636747

SCHEMBL12636747

[C-]#[N+]c1c(C(C)(C)C)c(C#N)c(/N=N/c2c(C(C)(C)C)nn(-c3ccccc3)c2N)n1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
GRK6 P43250 1/20 0.35
MAPT P10636 9/20 0.33
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
TDP1 Q9NUW8 5/20 0.33
MAPK1 P28482 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 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
SCHEMBL12636746 0.95 GAA (0.39) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636706 0.81 GAA (0.43) GAAGRK6MAPTRAB9ANPC1
SCHEMBL12636701 0.77 GAA (0.45) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636700 0.76 GAA (0.44) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636709 0.75 GAA (0.46) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL92470 0.72 RAB9A (0.42) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636733 0.69 RAB9A (0.40) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13310786 0.69 GAA (0.42) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10106113 0.69 GAA (0.43) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636726 0.69 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