SCHEMBL10102013

SCHEMBL10102013

CNc1nc(Nc2ccc(OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)c(C)nn1-c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
MERTK Q12866 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL10102037 0.91 THRB (0.36) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10102033 0.90 DHODH (0.36) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10101974 0.87 KDM4E (0.41) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10106460 0.79 KDM4E (0.35) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10102001 0.78 CSNK2A1 (0.35) KDM4EALDH1A1HPGDMAPK1RXFP1
SCHEMBL10102041 0.77 ALDH1A1 (0.38) ALDH1A1RXFP1MEN1KMT2ANPSR1
SCHEMBL10102105 0.77 ALDH1A1 (0.38) ALDH1A1RXFP1MEN1KMT2ANPSR1
SCHEMBL10101976 0.77 CDK4 (0.35) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL10102014 0.77 MAPT (0.37) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL10102018 0.77 ALDH1A1 (0.31) ALDH1A1HPGDSMN1; 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-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-8206465-B2 Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording FUJIFILM CORPORATION (JP) 2012-06-26 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed
US-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed