Sugi Predict

Sugi Predict / Compounds / SCHEMBL221894

SCHEMBL221894

SCHEMBL221894

COc1cc(NC(=O)[C@H]2N[C@H](CC(C)(C)C)C3(C(=O)Nc4cc(Cl)ccc43)[C@@H]2c2cccc(Cl)c2F)ccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 1.00
▸ TP53 P04637 11/20 1.00
▸ MDM4 O15151 1/20 0.73

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
SCHEMBL222764 1.00 MDM2 (1.00) MDM2TP53MDM4
SCHEMBL222765 1.00 MDM2 (1.00) MDM2TP53MDM4
SCHEMBL221893 1.00 MDM2 (1.00) MDM2TP53MDM4
SCHEMBL220587 0.95 MDM2 (0.90) MDM2TP53MDM4
SCHEMBL220586 0.95 MDM2 (0.90) MDM2TP53MDM4
SCHEMBL222190 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL1959328 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL221895 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL1957478 0.94 MDM2 (1.00) MDM2TP53
SCHEMBL221610 0.91 MDM2 (0.83) 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
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 — — US disclosed