SCHEMBL8247283

SCHEMBL8247283

Nc1ccc(NC(=O)N2CCCC(C3(Cc4cccc(Cl)c4)C(=O)Nc4cc(Cl)ccc43)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.72
MDM2 Q00987 4/20 0.72
FAAH O00519 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36

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 0.95 TP53 (0.77) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL8251713 0.93 MDM2 (0.79) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL4966825 0.93 TP53 (0.73) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL3964722 0.93 TP53 (0.76) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL8251323 0.92 MDM2 (0.70) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL8247285 0.92 MDM2 (0.72) TP53MDM2FAAHMAPTLMNA
SCHEMBL8249668 0.92 MDM2 (0.77) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL3971734 0.92 MDM2 (0.71) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL8252352 0.91 MDM2 (0.75) TP53MDM2FAAHMAPTSMN1; SMN2
SCHEMBL3964399 0.91 TP53 (0.72) TP53MDM2FAAHMAPTSMN1; SMN2

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