SCHEMBL1959104

SCHEMBL1959104

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

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 20/20 0.87
TP53 P04637 11/20 0.87

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
SCHEMBL221519 1.00 MDM2 (0.87) MDM2TP53
SCHEMBL2590159 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL223761 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL10299794 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL1957377 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL222159 0.93 MDM2 (1.00) MDM2TP53
SCHEMBL222121 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL1955928 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL222673 0.90 MDM2 (1.00) MDM2TP53
SCHEMBL223646 0.90 MDM2 (1.00) 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