SCHEMBL10194359

SCHEMBL10194359

[C-]#[N+]c1cn(-c2nc3ccccc3s2)nc1N=Nc1c(C)nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4nn(-c5nc6ccccc6s5)cc4C#N)c3N)n2)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
MAPK1 P28482 5/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
CA1 P00915 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 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
SCHEMBL13925672 0.75 CA12 (0.43) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL1613023 0.70 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL13134122 0.70 CA12 (0.34) CA12CA2CA9CA1
SCHEMBL1613303 0.69 SMN1; SMN2 (0.41) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL14452317 0.68 MAPT (0.39) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL10194314 0.67 MAPT (0.40) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL1613299 0.66 KMT2A (0.33) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL10194342 0.66 MEN1 (0.30) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL13134117 0.66 RAB9A (0.34) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1613519 0.65 SMN1; SMN2 (0.44) NPC1RAB9AMAPTSMN1; SMN2MAPK1

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-8118885-B2 Azo pigments, process for producing the azo pigments, and pigment dispersion, coloring composition and ink for inkjet recording containing the pigment FUJIFILM CORPORATION (JP) 2012-02-21 US disclosed
US-20110030583-A1 AZO PIGMENTS, PROCESS FOR PRODUCING THE AZO PIGMENTS, AND PIGMENT DISPERSION, COLORING COMPOSITION AND INK FOR INKJET RECORDING CONTAINING THE PIGMENT FUJIFILM COPORATION (JP) 2011-02-10 US disclosed