SCHEMBL10101934

SCHEMBL10101934

[C-]#[N+]c1cnn(-c2nc(-n3ncc(C#N)c3/N=N/c3c(C)cc(N4CCOCC4)nc3NC)nc(-n3ncc(C#N)c3/N=N/c3c(C)cc(N4CCOCC4)nc3NC)n2)c1/N=N/c1c(C)cc(N2CCOCC2)nc1NC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
PIK3CA P42336 1/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KHK P50053 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL10106455 0.93 KMT2A (0.38) KMT2APOLBTSHRMEN1USP2
SCHEMBL10102088 0.86 HTT (0.36) KMT2APOLBTSHRMEN1USP2
SCHEMBL10101823 0.86 HTT (0.36) KMT2APOLBTSHRMEN1USP2
SCHEMBL10101825 0.78 TSHR (0.33) POLBTSHRUSP2HTTL3MBTL1
SCHEMBL10101972 0.77 CNR2 (0.34) POLBTSHRHTTL3MBTL1ALDH1A1
SCHEMBL10101961 0.77 HTR3A (0.38) KMT2ATSHRUSP2ALDH1A1HPGD
SCHEMBL10101966 0.76 KDM4E (0.34) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10101957 0.73
SCHEMBL10101831 0.73
SCHEMBL10101889 0.71 MEN1 (0.38) KMT2APOLBTSHRMEN1USP2

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 2 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-20110011306-A1 AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING FUJIFILM CORPORATION (JP) 2011-01-20 US disclosed