SCHEMBL10101952

SCHEMBL10101952

CNc1nc(N2CCOCC2)c(C#N)c(C)c1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
HPGD P15428 5/20 0.38
KHK P50053 1/20 0.38
KDM4E B2RXH2 12/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 3/20 0.35
LRRK2 Q5S007 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL10101897 0.92 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10101969 0.91 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10101978 0.90 SMN1; SMN2 (0.36) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10101983 0.90 KDM4E (0.38) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL10101967 0.90 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EHIF1A
SCHEMBL10101889 0.89 MEN1 (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL10102113 0.88 TSHR (0.37) ALDH1A1HPGDKHKKDM4EMEN1
SCHEMBL10101958 0.88 TSHR (0.37) ALDH1A1HPGDKHKKDM4EMEN1
SCHEMBL10101888 0.87 IKBKB (0.41) ALDH1A1HPGDKHKKDM4EMEN1
SCHEMBL10101999 0.87 KDM4E (0.36) ALDH1A1HPGDKDM4EMEN1KMT2A

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