SCHEMBL3244735

SCHEMBL3244735

O=C(NC1CCCCN1[C@]1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)ON1CCN(CCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 14/20 0.42
TP53 P04637 5/20 0.42
GHSR Q92847 2/20 0.34

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
SCHEMBL3249735 0.92 MDM2 (0.43) MDM2TP53GHSR
SCHEMBL1319265 0.90 MDM2 (0.46) MDM2TP53GHSR
SCHEMBL3244870 0.89 MDM2 (0.52) MDM2TP53
SCHEMBL3245804 0.89 MDM2 (0.44) MDM2TP53
SCHEMBL1319860 0.83 MDM2 (0.46) MDM2TP53GHSR
SCHEMBL1322315 0.81 MDM2 (0.50) MDM2TP53GHSR
SCHEMBL1319807 0.80 MDM2 (0.48) MDM2TP53
SCHEMBL1319277 0.80 MDM2 (0.56) MDM2TP53
SCHEMBL12121846 0.76 MDM2 (0.50) MDM2TP53GHSR
SCHEMBL3241269 0.75 MDM2 (0.51) 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-2066318-B1 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2010-05-12 EP claimed