SCHEMBL8250826

SCHEMBL8250826

O=C(Nc1cc(Cl)nc(Cl)c1)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.73
MDM2 Q00987 4/20 0.73
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
GRIN2B Q13224 2/20 0.38
FAAH O00519 1/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 4/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 4/20 0.36
CASP7 P55210 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 2/20 0.35

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
SCHEMBL8249405 0.93 TP53 (0.77) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL8249668 0.93 MDM2 (0.77) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL3964722 0.92 TP53 (0.76) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL3964399 0.91 TP53 (0.72) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL8242426 0.91 MDM2 (0.69) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL4966825 0.91 TP53 (0.73) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL8251713 0.91 MDM2 (0.79) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL8247285 0.90 MDM2 (0.72) TP53MDM2NPSR1ALDH1A1GRIN2B
SCHEMBL8247283 0.90 TP53 (0.72) TP53MDM2KMT2ANPSR1MEN1
SCHEMBL3968324 0.89 MDM2 (0.69) TP53MDM2KMT2ANPSR1MEN1

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