SCHEMBL28796451

SCHEMBL28796451

Cc1cc(C(=O)OC(C)(C)C)c(-n2c(C3CCCCC3)nc(C(=O)O)c2-c2ccc(F)c(Cl)c2)c(F)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 14/20 0.59
KMO O15229 1/20 0.31
CNR1 P21554 2/20 0.31
NR1H4 Q96RI1 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR35 Q9HC97 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL27862805 0.84 MDM2 (0.43) MDM2
SCHEMBL9893574 0.83 MDM2 (0.68) MDM2NR1H4KCNH2
SCHEMBL27879316 0.83 MDM2 (0.63) MDM2CNR1NR1H4MAPTNPSR1
SCHEMBL1444255 0.80 MDM2 (0.62) MDM2MAPTNPSR1
SCHEMBL9893934 0.80 MDM2 (0.62) MDM2MAPTNPSR1
Lithium SCHEMBL9894073 0.76 MDM2 (0.73) MDM2CNR1CNR2
SCHEMBL9894071 0.76 MDM2 (0.73) MDM2CNR1CNR2
SCHEMBL9893775 0.76 MDM2 (0.62) MDM2MAPTNPSR1
SCHEMBL9893723 0.75 MDM2 (1.00) MDM2KMO
SCHEMBL1437225 0.75 MDM2 (0.56) MDM2NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574785-A Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators NOVARTIS AG 2012-07-11 CN disclosed