SCHEMBL17927401

SCHEMBL17927401

NCCNC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 16/20 0.69
▸ MEN1 O00255 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ MAX P61244 6/20 0.62
▸ POLB P06746 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ IDO1 P14902 1/20 0.55
▸ USP2 O75604 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ GSTM2 P28161 1/20 0.47

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
SCHEMBL17927368 0.90 MYC (0.72) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927364 0.90 MYC (0.72) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927379 0.87 MEN1 (0.66) MYCMEN1KMT2AMAXPOLB
SCHEMBL17934532 0.84 MYC (0.68) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927349 0.84 MYC (0.61) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927299 0.84 MYC (0.70) MYCMEN1KMT2AMAXPOLB
SCHEMBL17934482 0.84 MYC (0.61) MYCMEN1KMT2AMAXPOLB
SCHEMBL17934450 0.83 MYC (0.80) MYCMEN1KMT2AMAXPOLB
SCHEMBL17934539 0.83 MYC (0.61) MYCMEN1KMT2AMAXPOLB
SCHEMBL17927387 0.83 MYC (0.57) 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 2 patents. 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
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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