SCHEMBL10194331

SCHEMBL10194331

[C-]#[N+]c1cnn(-c2ccccc2)c1N=Nc1c(C)nn(-c2ccc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4ccccc4)c3N)nn2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
RAB9A P51151 6/20 0.43
TDP1 Q9NUW8 6/20 0.43
NPC1 O15118 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
GLA P06280 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL10194332 0.91 MAPT (0.41) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL1613519 0.90 SMN1; SMN2 (0.44) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL10194374 0.89 MAPT (0.45) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL10194305 0.88 SMN1; SMN2 (0.42) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL10194329 0.88 SMN1; SMN2 (0.39) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL12998674 0.88 XDH (0.38) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL1613303 0.87 SMN1; SMN2 (0.41) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL10194306 0.86 SMN1; SMN2 (0.40) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL10194308 0.86 SMN1; SMN2 (0.40) MAPTSMN1; SMN2RAB9ATDP1NPC1
SCHEMBL10194371 0.83 MAPT (0.45) MAPTSMN1; SMN2RAB9ATDP1NPC1

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