SCHEMBL27705451

SCHEMBL27705451

O=C(O)c1ccc(CCNC(=O)N2CCCC(C3(Cc4cccc(Cl)c4)C(=O)Nc4cc(Cl)ccc43)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.69
TP53 P04637 2/20 0.69
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.39
CXCR3 P49682 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
ATM Q13315 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
SCHEMBL27725989 0.93 MDM2 (0.70) MDM2TP53EPHX1EPHX2POLB
SCHEMBL3971734 0.89 MDM2 (0.71) MDM2TP53
SCHEMBL8248075 0.89 MDM2 (0.76) MDM2TP53EPHX2
SCHEMBL27705449 0.88 MDM2 (0.70) MDM2TP53EPHX2POLB
SCHEMBL3967696 0.88 MDM2 (0.77) MDM2TP53EPHX2CXCR3L3MBTL1
SCHEMBL3966847 0.87 MDM2 (0.81) MDM2TP53EPHX2POLBCXCR3
SCHEMBL3967931 0.85 MDM2 (0.70) MDM2TP53
SCHEMBL3964720 0.85 MDM2 (0.86) MDM2TP53L3MBTL1
SCHEMBL3964590 0.84 MDM2 (0.82) MDM2TP53
SCHEMBL3964722 0.84 TP53 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203489-B Oxindole derivatives HOFFMANN LA ROCHE 2011-08-31 CN disclosed
CN-101203489-A Oxindole derivatives HOFFMANN LA ROCHE (CH) 2008-06-18 CN disclosed