SCHEMBL28116340

SCHEMBL28116340

O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21.[Cu]

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.86
CSNK2B P67870 2/20 0.86
CSNK2A1 P68400 2/20 0.86
CSNK2A3 Q8NEV1 2/20 0.86
MAPT P10636 6/20 0.77
APEX1 P27695 2/20 0.77
POLB P06746 2/20 0.77
CASP6 P55212 1/20 0.77
HPGD P15428 4/20 0.73
TSHR P16473 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
CYP3A4 P08684 3/20 0.73
HIF1A Q16665 2/20 0.73
TP53 P04637 2/20 0.73
S100A4 P26447 2/20 0.60
LCK P06239 2/20 0.55
PTPRC P08575 1/20 0.55
AURKA O14965 1/20 0.53
MAOA P21397 4/20 0.49
KMT2A Q03164 4/20 0.49

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
SCHEMBL16656215 0.98 CSNK2A2 (0.88) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL10355815 0.95 CSNK2A2 (0.82) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL3519179 0.92 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL11135123 0.92 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL29644991 0.92 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL11210972 0.89 S100A4 (0.75) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL10356147 0.87 CSNK2A2 (0.79) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL2300618 0.87 MAPT (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL11053325 0.87 CSNK2A2 (0.70) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL10355857 0.87 CSNK2A2 (0.70) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104262162-B A kind of 1,8-dihydroxy-4,5-dinitroanthraquinone copper compound and its preparation method and application 西安近代化学研究所 2016-12-07 CN disclosed