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Sugi Predict / Compounds / SCHEMBL1957261

SCHEMBL1957261

SCHEMBL1957261

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

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.77
▸ TP53 P04637 8/20 0.77

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
SCHEMBL222157 1.00 MDM2 (0.77) MDM2TP53
SCHEMBL223983 0.94 MDM2 (0.88) MDM2TP53
SCHEMBL220975 0.94 MDM2 (0.88) MDM2TP53
SCHEMBL1958745 0.94 MDM2 (0.88) MDM2TP53
SCHEMBL16788125 0.91 MDM2 (0.64) MDM2TP53
SCHEMBL222599 0.91 MDM2 (0.77) MDM2TP53
SCHEMBL1957332 0.91 MDM2 (0.77) MDM2TP53
SCHEMBL221301 0.90 MDM2 (0.73) MDM2TP53
SCHEMBL16762454 0.90 MDM2 (0.62) MDM2TP53
SCHEMBL222346 0.90 MDM2 (0.77) 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