SCHEMBL4742428

SCHEMBL4742428

CNc1cc(N(C)C)ccc1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIOK2 Q9BVS4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RCE1 Q9Y256 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
SCHEMBL4742453 0.92 ALDH1A1 (0.32) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL4742455 0.88 KCNH2 (0.36) KCNH2NPC1RAB9AMAPTMEN1
SCHEMBL4742501 0.88 KCNH2 (0.39) KCNH2NPC1RAB9AMAPTMEN1
SCHEMBL4769994 0.84 IRAK4 (0.31) KCNH2NPC1RAB9AMAPTMEN1
SCHEMBL4742437 0.82 ALDH1A1 (0.38) MAPTMEN1MAPK1KMT2ATDP1
SCHEMBL4742494 0.75 KCNH2 (0.39) KCNH2NPC1RAB9AMAPTMEN1
SCHEMBL4742451 0.73 NPC1 (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10101832 0.73 NPC1 (0.30) NPC1RAB9A
SCHEMBL10101949 0.73 NPC1 (0.32) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10101923 0.71 ALDH1A1 (0.33) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 4 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-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
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed