SCHEMBL17934564

SCHEMBL17934564

O=C(NCc1cccnc1)c1cnccc1Nc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 7/20 0.61
▸ HTT P42858 3/20 0.60
▸ POLB P06746 2/20 0.58
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ THRB P10828 1/20 0.51
▸ MAX P61244 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ NAMPT P43490 3/20 0.49
▸ IDO1 P14902 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46

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
SCHEMBL17934594 0.86 MYC (0.71) MYCHTTPOLBMEN1KMT2A
SCHEMBL6986059 0.76 HTT (1.00) HTTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL17927410 0.76 MYC (0.73) MYCHTTPOLBMEN1KMT2A
SCHEMBL17927384 0.76 MYC (0.82) MYCHTTPOLBMEN1KMT2A
SCHEMBL17927359 0.76 MYC (1.00) MYCHTTPOLBMEN1KMT2A
SCHEMBL17934577 0.76 MYC (0.63) MYCHTTPOLBMEN1KMT2A
SCHEMBL17927368 0.73 MYC (0.72) MYCHTTPOLBMEN1KMT2A
SCHEMBL17927364 0.73 MYC (0.72) MYCHTTPOLBMEN1KMT2A
SCHEMBL17927401 0.73 MYC (0.69) MYCHTTPOLBMEN1KMT2A
SCHEMBL17934468 0.73 MYC (0.76) MYCHTTPOLBMEN1KMT2A

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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