SCHEMBL8249405

SCHEMBL8249405

O=C(Nc1ccc(Cl)cc1)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.77
MDM2 Q00987 4/20 0.77
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN2B Q13224 1/20 0.40
EPHX2 P34913 3/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL8251713 0.96 MDM2 (0.79) TP53MDM2MAPTNPC1LMNA
SCHEMBL4966825 0.96 TP53 (0.73) TP53MDM2MAPTNPC1LMNA
SCHEMBL3964722 0.96 TP53 (0.76) TP53MDM2MAPTNPC1LMNA
SCHEMBL8247283 0.95 TP53 (0.72) TP53MDM2MAPTNPC1LMNA
SCHEMBL8247285 0.95 MDM2 (0.72) TP53MDM2MAPTLMNARAB9A
SCHEMBL8249668 0.95 MDM2 (0.77) TP53MDM2MAPTNPC1LMNA
SCHEMBL3971734 0.94 MDM2 (0.71) TP53MDM2MAPTNPC1LMNA
SCHEMBL8252352 0.94 MDM2 (0.75) TP53MDM2MAPTNPC1LMNA
SCHEMBL8251323 0.94 MDM2 (0.70) TP53MDM2MAPTNPC1LMNA
SCHEMBL3964399 0.94 TP53 (0.72) TP53MDM2MAPTNPC1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO disclosed