SCHEMBL10101823

SCHEMBL10101823

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
PIK3CA P42336 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOS1 Q07889 2/20 0.35
KHK P50053 1/20 0.34
PDE4D Q08499 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 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
SCHEMBL10102088 1.00 HTT (0.36) HTTATML3MBTL1KMT2APOLB
SCHEMBL10106455 0.93 KMT2A (0.38) HTTATML3MBTL1KMT2APOLB
SCHEMBL10101825 0.92 TSHR (0.33) HTTL3MBTL1POLBTSHRUSP2
SCHEMBL10101972 0.91 CNR2 (0.34) HTTL3MBTL1POLBTSHRALDH1A1
SCHEMBL10101961 0.90 HTR3A (0.38) KMT2ATSHRUSP2ALDH1A1HPGD
SCHEMBL10101966 0.90 KDM4E (0.34) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10101831 0.87
SCHEMBL10101934 0.86 KMT2A (0.34) HTTATML3MBTL1KMT2APOLB
SCHEMBL10101889 0.85 MEN1 (0.38) HTTKMT2APOLBTSHRMEN1
SCHEMBL10101952 0.84 ALDH1A1 (0.38) HTTKMT2APOLBTSHRMEN1

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 5 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
EP-2253674-A1 AZO PIGMENT, PIGMENT DISPERSION, COLORING COMPOSITION, AND INKJET RECORDING INK FUJIFILM Corporation (JP) 2010-11-24 EP disclosed