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Sugi Predict / Compounds / SCHEMBL1955795

SCHEMBL1955795

SCHEMBL1955795

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

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.84
▸ TP53 P04637 9/20 0.84

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
SCHEMBL223548 1.00 MDM2 (0.84) MDM2TP53
SCHEMBL1959357 0.94 MDM2 (0.80) MDM2TP53
SCHEMBL223692 0.94 MDM2 (0.80) MDM2TP53
SCHEMBL1958197 0.92 MDM2 (0.71) MDM2TP53
SCHEMBL222669 0.92 MDM2 (0.71) MDM2TP53
SCHEMBL222622 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL1957351 0.91 MDM2 (1.00) MDM2TP53
SCHEMBL221296 0.88 MDM2 (0.89) MDM2TP53
SCHEMBL1958243 0.88 MDM2 (0.89) MDM2TP53
SCHEMBL1958745 0.85 MDM2 (0.88) 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