SCHEMBL4742332

SCHEMBL4742332

CNc1nc(N2CCCCC2)sc1/N=N/c1c(C#N)cnn1-c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK2A1 P68400 2/20 0.35
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CCNT1 O60563 2/20 0.32
CCNA2 P20248 2/20 0.32

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
SCHEMBL4742334 0.91 CSNK2A1 (0.35) ALDH1A1LMNATSHRTDP1CSNK2A1
SCHEMBL10101914 0.80 ALDH1A1 (0.38) ALDH1A1LMNATSHRTDP1CSNK2A1
SCHEMBL10101979 0.79 ALDH1A1 (0.37) ALDH1A1LMNATSHRTDP1CSNK2A1
SCHEMBL10101954 0.75 PLAUR (0.35) ALDH1A1CSNK2A1HPGDNPC1RAB9A
SCHEMBL10101907 0.73 CSNK2A1 (0.33) ALDH1A1LMNATSHRTDP1CSNK2A1
SCHEMBL4742358 0.72 NPC1 (0.30) NPC1RAB9A
SCHEMBL10106570 0.71 ALDH1A1 (0.35) ALDH1A1LMNATSHRTDP1CSNK2A1
SCHEMBL10101919 0.70 NPC1 (0.34) ALDH1A1LMNATSHRCSNK2A1NPC1
SCHEMBL10101972 0.70 CNR2 (0.34) ALDH1A1LMNATSHRTDP1CSNK2A1
SCHEMBL10101927 0.70 NPC1 (0.32) ALDH1A1TSHRCSNK2A1NPC1RAB9A

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