SCHEMBL13310786

SCHEMBL13310786

CC(C)(C)c1nn(-c2ccc(NP)cc2)c(/N=N/c2c(C(C)(C)C)nn(-c3ccccc3)c2N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 16/20 0.38
RAB9A P51151 10/20 0.38
SMN1; SMN2 Q16637 10/20 0.38
NPC1 O15118 9/20 0.38
TDP1 Q9NUW8 6/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 2/20 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 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL12636700 0.84 GAA (0.44) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12636703 0.83 ALDH1A1 (0.44) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13294430 0.83 MAPT (0.38) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12636709 0.81 GAA (0.46) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12636726 0.80 MAPT (0.41) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12636701 0.80 GAA (0.45) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12636706 0.78 GAA (0.43) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12636711 0.78 MAPT (0.40) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12636723 0.77 GAA (0.38) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2743087 0.77 GAA (0.61) GAAMAPTRAB9ASMN1; SMN2NPC1

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-7732509-B2 Polymeric colorant-based ink compositions EASTMAN KODAK COMPANY (US) 2010-06-08 US disclosed
US-20080122915-A1 Polymeric colorant-based ink compositions EASTMAN KODAK COMPANY 2008-05-29 US disclosed