SCHEMBL10101855

SCHEMBL10101855

CNc1nc(N(C)C)cc(C)c1/N=N/c1c(C#N)cnn1-c1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 5/20 0.57
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 7/20 0.34
MAPT P10636 5/20 0.34
HPGD P15428 1/20 0.34
DUSP3 P51452 1/20 0.33
ALDH1A1 P00352 6/20 0.32
HTT P42858 2/20 0.32
SRC P12931 2/20 0.32
LMNA P02545 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31
HSP90AA1 P07900 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL10101871 0.89 RAB9A (0.55) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL10101866 0.84 NPC1 (0.50) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL10101919 0.82 NPC1 (0.34) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL10101949 0.81 NPC1 (0.32) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10101837 0.78 RAB9A (0.53) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL10106461 0.78 RAB9A (0.44) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL10102007 0.78 RAB9A (0.49) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL4742516 0.78 RAB9A (0.61) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL10106456 0.73 RAB9A (0.44) RAB9ANPC1MAPK1MEN1KMT2A
SCHEMBL10102064 0.72 NPC1 (0.41) RAB9ANPC1MAPTALDH1A1SRC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
EP-2253674-A1 AZO PIGMENT, PIGMENT DISPERSION, COLORING COMPOSITION, AND INKJET RECORDING INK FUJIFILM Corporation (JP) 2010-11-24 EP disclosed