SCHEMBL10101897

SCHEMBL10101897

CNc1nc(N2CCCC2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.35
KDM4E B2RXH2 10/20 0.35
MAPT P10636 6/20 0.35
POLB P06746 6/20 0.35
HTT P42858 4/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HIF1A Q16665 1/20 0.35
HPGD P15428 6/20 0.35
HSD17B10 Q99714 6/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 5/20 0.33
CASP1 P29466 5/20 0.32
ALOX15 P16050 4/20 0.32
CASP7 P55210 4/20 0.32
NPC1 O15118 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
SCHEMBL10101969 0.99 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTPOLBHTT
SCHEMBL10101913 0.94 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTPOLBHTT
SCHEMBL10101978 0.93 SMN1; SMN2 (0.36) ALDH1A1KDM4EMAPTPOLBHTT
SCHEMBL10101983 0.92 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL10101967 0.92 ALDH1A1 (0.34) ALDH1A1KDM4EHIF1AHPGDTDP1
SCHEMBL10101952 0.92 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPOLBHTT
SCHEMBL10101979 0.90 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTPOLBHTT
SCHEMBL10101999 0.89 KDM4E (0.36) ALDH1A1KDM4EMAPTHTTGAA
SCHEMBL10101914 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPOLBHTT
SCHEMBL10101825 0.84 TSHR (0.33) ALDH1A1KDM4EMAPTPOLBHTT

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