SCHEMBL3249735

SCHEMBL3249735

COCCN1CCN(OC(=O)NC2CCCCN2[C@]2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 11/20 0.43
TP53 P04637 4/20 0.43
GHSR Q92847 2/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3244735 0.92 MDM2 (0.42) MDM2TP53GHSR
SCHEMBL1319860 0.91 MDM2 (0.46) MDM2TP53GHSRKMT2AMEN1
SCHEMBL3244870 0.89 MDM2 (0.52) MDM2TP53KMT2AMEN1ALDH1A1
SCHEMBL3245804 0.87 MDM2 (0.44) MDM2TP53
SCHEMBL1319265 0.82 MDM2 (0.46) MDM2TP53GHSRKDM4EMAPT
SCHEMBL1322315 0.81 MDM2 (0.50) MDM2TP53GHSRKMT2A
SCHEMBL1319277 0.79 MDM2 (0.56) MDM2TP53KMT2AMEN1ALDH1A1
SCHEMBL8211051 0.79 MDM2 (0.50) MDM2TP53GHSRKMT2AMEN1
SCHEMBL1319807 0.78 MDM2 (0.48) MDM2TP53SMN1; SMN2
SCHEMBL1320616 0.76 MDM2 (0.51) MDM2TP53KMT2AMEN1KDM4E

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