SCHEMBL17934481

SCHEMBL17934481

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ MYC P01106 13/20 0.60
▸ MAX P61244 4/20 0.60
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ IDO1 P14902 4/20 0.55
▸ MAPT P10636 2/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ PSMD14 O00487 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL17934482 0.84 MYC (0.61) MEN1KMT2AMYCMAXNPC1
SCHEMBL15279711 0.84 GSTM2 (0.57) MEN1KMT2AMYCMAXNPC1
SCHEMBL17934430 0.83 MYC (0.69) MEN1KMT2AMYCMAXNPC1
SCHEMBL17927327 0.83 MYC (0.65) MEN1KMT2AMYCMAXNPC1
SCHEMBL17927413 0.82 MYC (0.64) MEN1KMT2AMYCMAXNPC1
SCHEMBL17927367 0.80 MYC (0.62) MEN1KMT2AMYCMAXNPC1
SCHEMBL17927355 0.78 MYC (0.60) MEN1KMT2AMYCMAXNPC1
SCHEMBL17927412 0.78 MYC (0.60) MEN1KMT2AMYCMAXNPC1
SCHEMBL6831367 0.78 MEN1 (0.78) MEN1KMT2AMYCMAXNPC1
SCHEMBL16107923 0.77 MEN1 (0.73) MEN1KMT2AMYCMAXNPC1

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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