SCHEMBL17460976

SCHEMBL17460976

COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2ccc(CF)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 11/20 0.81
▸ MAX P61244 7/20 0.81
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ IDO1 P14902 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GSTP1 P09211 1/20 0.44
▸ GSTM2 P28161 1/20 0.44

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
SCHEMBL16107836 0.90 MYC (1.00) MYCMAXMEN1KMT2AIDO1
SCHEMBL31053963 0.90 MYC (1.00) MYCMAXMEN1KMT2AIDO1
SCHEMBL16107519 0.88 MYC (1.00) MYCMAXMEN1KMT2AIDO1
SCHEMBL16139694 0.85 MYC (0.69) MYCMAXMEN1KMT2AIDO1
SCHEMBL16142058 0.81 MYC (0.72) MYCMAXMEN1KMT2AIDO1
SCHEMBL16141994 0.81 MYC (0.82) MYCMAXMEN1KMT2AIDO1
SCHEMBL16107898 0.80 MYC (0.82) MYCMAXMEN1KMT2AIDO1
SCHEMBL16139677 0.79 MYC (0.81) MYCMAXMEN1KMT2AIDO1
SCHEMBL16139687 0.78 MYC (0.80) MYCMAXMEN1KMT2AIDO1
SCHEMBL6831367 0.78 MEN1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242944-B2 Potent analogues of the C-Myc inhibitor 10074-G5 with improved cell permeability UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-26 — — US disclosed
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