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Sugi Predict / Compounds / SCHEMBL1957181

SCHEMBL1957181

SCHEMBL1957181

COc1cc(OCCCS(C)(=O)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cccc(Cl)c1F

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.85
▸ TP53 P04637 9/20 0.85

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
SCHEMBL222404 1.00 MDM2 (0.85) MDM2TP53
SCHEMBL220585 0.97 MDM2 (0.86) MDM2TP53
SCHEMBL1956874 0.97 MDM2 (0.86) MDM2TP53
SCHEMBL223028 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL1958406 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL2590223 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL1955629 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL10299797 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL220320 0.92 MDM2 (1.00) MDM2TP53
SCHEMBL12574533 0.91 MDM2 (0.89) 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