SCHEMBL27705449

SCHEMBL27705449

O=C(O)c1cccc(CNC(=O)N2CCCC(C3(Cc4cccc(Cl)c4)C(=O)Nc4cc(Cl)ccc43)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.70
TP53 P04637 3/20 0.70
EPHX2 P34913 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
F2 P00734 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN2B Q13224 1/20 0.36
POLB P06746 1/20 0.36
MRGPRX4 Q96LA9 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 0.94 MDM2 (0.70) MDM2TP53EPHX2MAPK1LMNA
SCHEMBL3967931 0.89 MDM2 (0.70) MDM2TP53ALDH1A1SMN1; SMN2GRIN2B
SCHEMBL3966847 0.88 MDM2 (0.81) MDM2TP53EPHX2MAPK1POLB
SCHEMBL27705451 0.88 MDM2 (0.69) MDM2TP53EPHX2POLB
SCHEMBL3971734 0.87 MDM2 (0.71) MDM2TP53LMNAALDH1A1SMN1; SMN2
SCHEMBL8248075 0.87 MDM2 (0.76) MDM2TP53EPHX2MAPK1GRIN2B
SCHEMBL3964720 0.86 MDM2 (0.86) MDM2TP53GRIN2B
SCHEMBL3967696 0.86 MDM2 (0.77) MDM2TP53EPHX2MAPK1LMNA
SCHEMBL3964590 0.86 MDM2 (0.82) MDM2TP53
SCHEMBL3964722 0.85 TP53 (0.76) MDM2TP53LMNAALDH1A1PKM

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