SCHEMBL8247285

SCHEMBL8247285

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.72
TP53 P04637 1/20 0.72
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP7 P55210 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
GRIN2B Q13224 1/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 0.38
IDO1 P14902 1/20 0.38
ACHE P22303 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
SCHEMBL8249405 0.95 TP53 (0.77) MDM2TP53MAPTKDM4ENPSR1
SCHEMBL8251713 0.93 MDM2 (0.79) MDM2TP53MAPTHPGDUSP2
SCHEMBL4966825 0.93 TP53 (0.73) MDM2TP53MAPTHPGDUSP2
SCHEMBL3964722 0.93 TP53 (0.76) MDM2TP53MAPTHPGDKDM4E
SCHEMBL8247283 0.92 TP53 (0.72) MDM2TP53MAPTHPGDUSP2
SCHEMBL8249668 0.92 MDM2 (0.77) MDM2TP53MAPTHPGDKDM4E
SCHEMBL3971734 0.92 MDM2 (0.71) MDM2TP53MAPTKDM4ENPSR1
SCHEMBL8252352 0.91 MDM2 (0.75) MDM2TP53MAPTKDM4ENPSR1
SCHEMBL8251323 0.91 MDM2 (0.70) MDM2TP53MAPTKDM4ENPSR1
SCHEMBL3964399 0.91 TP53 (0.72) MDM2TP53MAPTHPGDUSP2

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