Sugi Predict

Sugi Predict / Compounds / SCHEMBL16762525

SCHEMBL16762525

SCHEMBL16762525

COc1cc(C#N)ccc1NC(=O)O[C@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Br)c1F

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.62
▸ TP53 P04637 10/20 0.62

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
SCHEMBL16762490 0.91 MDM2 (0.60) MDM2TP53
SCHEMBL16762454 0.90 MDM2 (0.62) MDM2TP53
SCHEMBL1957597 0.90 MDM2 (0.77) MDM2TP53
SCHEMBL222346 0.90 MDM2 (0.77) MDM2TP53
SCHEMBL16762506 0.86 MDM2 (0.62) MDM2TP53
SCHEMBL16762473 0.86 MDM2 (0.57) MDM2TP53
SCHEMBL16762517 0.85 MDM2 (0.64) MDM2TP53
SCHEMBL16762545 0.84 MDM2 (0.68) MDM2TP53
SCHEMBL16762522 0.84 MDM2 (0.69) MDM2TP53
SCHEMBL16762523 0.83 MDM2 (0.72) 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
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 — — EP claimed