SCHEMBL17927355

SCHEMBL17927355

O=C(NCCNC(=O)c1cccc(B(O)O)c1)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 13/20 0.60
▸ MAX P61244 4/20 0.60
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ IDO1 P14902 4/20 0.53
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ PSMD14 O00487 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL17927327 0.91 MYC (0.65) MYCMAXMEN1KMT2AIDO1
SCHEMBL17927400 0.89 MYC (0.75) MYCMAXMEN1KMT2AIDO1
SCHEMBL17927374 0.88 MYC (0.77) MYCMAXMEN1KMT2AIDO1
SCHEMBL17927413 0.84 MYC (0.64) MYCMAXMEN1KMT2AIDO1
SCHEMBL17934349 0.83 MYC (0.61) MYCMAXMEN1KMT2AIDO1
SCHEMBL17934430 0.82 MYC (0.69) MYCMAXMEN1KMT2AIDO1
SCHEMBL17927367 0.82 MYC (0.62) MYCMAXMEN1KMT2AIDO1
SCHEMBL26258945 0.81 MYC (0.64) MYCMAXMEN1KMT2AIDO1
SCHEMBL17927299 0.81 MYC (0.70) MYCMAXMEN1KMT2AIDO1
SCHEMBL17927409 0.81 MYC (0.58) MYCMAXMEN1KMT2AIDO1

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 3 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 claimed
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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