SCHEMBL10102014

SCHEMBL10102014

CNc1nc(Nc2ccc(C(=O)OC)cc2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAP2K1 Q02750 7/20 0.34
TP53 P04637 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
MAPK1 P28482 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
PDE5A O76074 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ROCK1 Q13464 1/20 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
SCHEMBL10102012 0.92 CDK2 (0.35) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10102026 0.89 MAP2K1 (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10101974 0.89 KDM4E (0.41) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10102001 0.89 CSNK2A1 (0.35) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL10102041 0.88 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARXFP1MAP2K1
SCHEMBL10102105 0.88 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ARXFP1MAP2K1
SCHEMBL10101989 0.87 HPGD (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10101976 0.87 CDK4 (0.35) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10102018 0.87 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL10102052 0.87 NPC1 (0.32) MAP2K1PDE4BPDE4DTRPV1

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