SCHEMBL4962890

SCHEMBL4962890

O=C(O)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 9/20 0.77
TP53 P04637 8/20 0.77
ACHE P22303 3/20 0.39
HSD11B1 P28845 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4966721 0.96 MDM2 (0.70) MDM2TP53ACHEHSD11B1ADAMTS5
SCHEMBL3964720 0.93 MDM2 (0.86) MDM2TP53ACHEHSD11B1
SCHEMBL3969567 0.89 MDM2 (0.80) MDM2TP53ADAMTS5MEN1KMT2A
SCHEMBL3968027 0.88 TP53 (0.71) MDM2TP53MEN1KMT2A
SCHEMBL3971402 0.87 MDM2 (1.00) MDM2TP53ACHEMEN1KMT2A
SCHEMBL3967494 0.87 MDM2 (0.83) MDM2TP53ACHEADAMTS5ALDH1A1
SCHEMBL3964717 0.86 MDM2 (0.68) MDM2TP53ADAMTS5
SCHEMBL3969681 0.86 MDM2 (0.69) MDM2TP53
SCHEMBL8248411 0.85 MDM2 (0.67) MDM2TP53ADAMTS5MEN1KMT2A
SCHEMBL3964590 0.85 MDM2 (0.82) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008543917-A 2008-12-04 JP claimed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP claimed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO claimed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP disclosed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO disclosed