SCHEMBL13639540

SCHEMBL13639540

CC(C)(C)C[C@@H]1N[C@@H](C(=O)O)[C@H](c2cccc(Br)c2F)C1N

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.30
MDM2 Q00987 2/20 0.30

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
SCHEMBL7950135 0.87 MDM2 (0.40) TP53MDM2
SCHEMBL13639644 0.80 MDM2 (0.45) TP53MDM2
SCHEMBL13639598 0.70 MDM2 (0.31) TP53MDM2
SCHEMBL30005751 0.70 MDM2 (0.44) TP53MDM2
SCHEMBL3373608 0.70 MDM2 (0.45) TP53MDM2
SCHEMBL30492739 0.70 MDM2 (0.45) TP53MDM2
SCHEMBL30006755 0.66 MDM2 (0.40) TP53MDM2
SCHEMBL30006600 0.65 MDM2 (0.41) TP53MDM2
SCHEMBL30006461 0.65 MDM2 (0.42) TP53MDM2
SCHEMBL30005629 0.65 MDM2 (0.37) TP53MDM2

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
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed