SCHEMBL10194307

SCHEMBL10194307

[C-]#[N+]c1cnn(-c2ccccn2)c1N=Nc1c(C)nn(-c2nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4ccccn4)c3N)[nH]c(=O)n2)c1N

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SPR P35270 1/20 0.30

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
SCHEMBL10194315 0.91 MAPT (0.40) MAPTNPC1TP53HPGDRAB9A
SCHEMBL10194295 0.90 SMN1; SMN2 (0.38) MAPTNPC1HPGDRAB9AALDH1A1
SCHEMBL10194325 0.88 NPC1 (0.32) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10194314 0.88 MAPT (0.40) MAPTNPC1TP53HPGDRAB9A
SCHEMBL10194321 0.87 NPC1 (0.38) MAPTNPC1HPGDRAB9AALDH1A1
SCHEMBL10194371 0.85 MAPT (0.45) MAPTNPC1TP53HPGDRAB9A
SCHEMBL10194374 0.84 MAPT (0.45) MAPTNPC1TP53HPGDRAB9A
SCHEMBL10194334 0.84
SCHEMBL10194322 0.84
SCHEMBL10194370 0.83 MAPT (0.43) MAPTNPC1TP53HPGDRAB9A

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