SCHEMBL4742501

SCHEMBL4742501

CN(C)c1ccc(/N=N/c2c(C#N)cnn2-c2ncccn2)c(NS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.39
RIOK2 Q9BVS4 1/20 0.39
SLC22A12 Q96S37 1/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CSNK2A2 P19784 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4742428 0.88 KCNH2 (0.35) KCNH2RIOK2NPC1RAB9AMEN1
SCHEMBL4742455 0.85 KCNH2 (0.36) KCNH2RIOK2NPC1RAB9AMEN1
SCHEMBL4742453 0.80 ALDH1A1 (0.32) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL4769994 0.80 IRAK4 (0.31) KCNH2NPC1RAB9AMEN1MAPT
SCHEMBL10101894 0.73 PTGS1 (0.32) SLC22A12CSNK2A2
SCHEMBL21310400 0.73 KCNH2 (0.37) KCNH2RIOK2SLC22A12MEN1MAPT
SCHEMBL4742494 0.72 KCNH2 (0.39) KCNH2RIOK2NPC1RAB9AMEN1
SCHEMBL4742451 0.71 NPC1 (0.42) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL4742437 0.70 ALDH1A1 (0.38) MEN1MAPTMAPK1KMT2ATDP1
SCHEMBL10101903 0.70

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-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed