SCHEMBL31053963

SCHEMBL31053963

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 12/20 1.00
▸ MAX P61244 7/20 1.00
▸ IDO1 P14902 4/20 0.58
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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 1.00 MYC (1.00) MYCMAXIDO1MEN1KMT2A
SCHEMBL16107898 0.90 MYC (0.82) MYCMAXIDO1MEN1KMT2A
SCHEMBL17460976 0.90 MYC (0.81) MYCMAXIDO1MEN1KMT2A
SCHEMBL16107519 0.89 MYC (1.00) MYCMAXIDO1MEN1KMT2A
SCHEMBL16142058 0.83 MYC (0.72) MYCMAXIDO1MEN1KMT2A
SCHEMBL16141994 0.83 MYC (0.82) MYCMAXIDO1MEN1KMT2A
SCHEMBL16139694 0.82 MYC (0.69) MYCMAXIDO1MEN1KMT2A
SCHEMBL16139724 0.81 MYC (0.82) MYCMAXIDO1MEN1KMT2A
SCHEMBL16139677 0.81 MYC (0.81) MYCMAXIDO1MEN1KMT2A
SCHEMBL16139687 0.81 MYC (0.80) MYCMAXIDO1MEN1KMT2A

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
CN-118574822-A Novel PROTAC compounds 甘李药业股份有限公司 2024-08-30 — — CN disclosed
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