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Sugi Predict / Compounds / SCHEMBL1959567

SCHEMBL1959567

SCHEMBL1959567

COc1cc(C(N)=O)ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)[C@@H]1c1cc(F)cc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.76
▸ TP53 P04637 5/20 0.67
▸ MDM4 O15151 1/20 0.60

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
SCHEMBL222160 1.00 MDM2 (0.76) MDM2TP53MDM4
SCHEMBL1957479 1.00 MDM2 (0.76) MDM2TP53MDM4
SCHEMBL220951 1.00 MDM2 (0.76) MDM2TP53MDM4
SCHEMBL12574520 0.95 MDM2 (0.74) MDM2TP53MDM4
SCHEMBL221308 0.94 MDM2 (0.76) MDM2TP53MDM4
SCHEMBL222172 0.94 MDM2 (0.68) MDM2TP53MDM4
SCHEMBL221309 0.94 MDM2 (0.76) MDM2TP53MDM4
SCHEMBL222171 0.94 MDM2 (0.68) MDM2TP53MDM4
SCHEMBL16788309 0.93 MDM2 (0.72) MDM2TP53MDM4
SCHEMBL222534 0.91 MDM2 (0.79) MDM2TP53MDM4

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