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Sugi Predict / Compounds / SCHEMBL1958243

SCHEMBL1958243

SCHEMBL1958243

CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(N)=O)cc2F)[C@@H](c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)cc(F)c12

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.89
▸ TP53 P04637 7/20 0.89

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
SCHEMBL221296 1.00 MDM2 (0.89) MDM2TP53
SCHEMBL1959947 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL221890 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL1957101 0.92 MDM2 (0.82) MDM2TP53
SCHEMBL1958750 0.92 MDM2 (0.82) MDM2TP53
SCHEMBL222804 0.92 MDM2 (0.82) MDM2TP53
SCHEMBL220348 0.92 MDM2 (0.82) MDM2TP53
SCHEMBL224157 0.91 MDM2 (0.87) MDM2TP53
SCHEMBL1959800 0.91 MDM2 (0.87) MDM2TP53
SCHEMBL222433 0.91 MDM2 (0.87) MDM2TP53

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-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 — — WO disclosed