SCHEMBL220510

SCHEMBL220510

CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 20/20 0.88
TP53 P04637 9/20 0.88
MDM4 O15151 1/20 0.70

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
SCHEMBL220509 1.00 MDM2 (0.88) MDM2TP53MDM4
SCHEMBL222898 0.95 MDM2 (0.89) MDM2TP53MDM4
SCHEMBL223635 0.94 MDM2 (0.88) MDM2TP53MDM4
SCHEMBL1959910 0.94 MDM2 (0.88) MDM2TP53MDM4
SCHEMBL220527 0.94 MDM2 (0.88) MDM2TP53MDM4
SCHEMBL224307 0.94 MDM2 (0.85) MDM2TP53MDM4
SCHEMBL1956954 0.94 MDM2 (0.85) MDM2TP53MDM4
SCHEMBL224306 0.94 MDM2 (0.85) MDM2TP53MDM4
SCHEMBL222159 0.94 MDM2 (1.00) MDM2TP53MDM4
SCHEMBL223761 0.94 MDM2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US claimed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed