SCHEMBL12636701

SCHEMBL12636701

CCCn1nc(C(C)(C)C)c(C#N)c1/N=N/c1c(C(C)(C)C)nn(-c2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MAPT P10636 14/20 0.38
RAB9A P51151 10/20 0.38
NPC1 O15118 9/20 0.38
SMN1; SMN2 Q16637 9/20 0.38
TDP1 Q9NUW8 6/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 7/20 0.37
NFKB1 P19838 4/20 0.37
NFKB2 Q00653 4/20 0.37
RELA Q04206 4/20 0.37
PLA2G1B P04054 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
MAPK1 P28482 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL12636706 0.94 GAA (0.43) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636709 0.92 GAA (0.46) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636700 0.87 GAA (0.44) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636840 0.85
SCHEMBL12636817 0.80 TSHR (0.35) MAPTMEN1KMT2ATSHR
SCHEMBL12636746 0.80 GAA (0.39) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13310786 0.80 GAA (0.42) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636845 0.79 GRK6 (0.32)
SCHEMBL12636726 0.79 MAPT (0.41) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12636723 0.78 GAA (0.38) 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