SCHEMBL12636733

SCHEMBL12636733

[C-]#[N+]c1nc(/N=N/c2c(C(C)(C)C)nn(-c3ccccc3)c2N)n(C)c1[N+]#[C-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.40
MAPT P10636 10/20 0.40
SMN1; SMN2 Q16637 10/20 0.40
NPC1 O15118 10/20 0.40
TDP1 Q9NUW8 6/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 5/20 0.39
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39
PLA2G1B P04054 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
MAPK1 P28482 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 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
SCHEMBL12636730 0.82
SCHEMBL92470 0.76 RAB9A (0.42) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL10101670 0.73 RAB9A (0.41) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL12636741 0.71 RAB9A (0.49) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL12636746 0.71 GAA (0.39) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL12636743 0.70 RAB9A (0.47) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL12636747 0.69 GAA (0.38) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL13294430 0.69 MAPT (0.38) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL12636761 0.69 RAB9A (0.46) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL15958244 0.68 RAB9A (0.44) RAB9AMAPTSMN1; SMN2NPC1TDP1

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