SCHEMBL17934017

SCHEMBL17934017

COc1cc(CNC(=O)c2ccccc2Nc2ccc([N+](=O)[O-])c3nonc23)ccc1B(O)O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 13/20 0.72
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ MAX P61244 4/20 0.52
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ IDO1 P14902 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL17934468 0.89 MYC (0.76) MYCMEN1KMT2AMAXPOLB
SCHEMBL17934016 0.89 MYC (0.75) MYCMEN1KMT2AMAXPOLB
SCHEMBL26266093 0.87 MYC (0.75) MYCMEN1KMT2AMAXPOLB
SCHEMBL17934015 0.86 MYC (0.71) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927384 0.85 MYC (0.82) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927359 0.84 MYC (1.00) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927410 0.83 MYC (0.73) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927381 0.79 MEN1 (0.59) MYCMEN1KMT2AMAXIDO1
SCHEMBL17934014 0.79 MYC (0.53) MYCMEN1KMT2APOLBL3MBTL1
SCHEMBL17934577 0.77 MYC (0.63) MYCMEN1KMT2AMAXPOLB

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
WO-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 — — WO disclosed
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