SCHEMBL28796359

SCHEMBL28796359

Cn1ccc2ccc(-c3nc(-c4ccccc4C(N)=O)c(-c4ccc(F)c(Cl)c4)n3-c3cccc(Cl)c3F)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.53
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
PIK3R2 O00459 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
CD38 P28907 2/20 0.34
GPR52 Q9Y2T5 1/20 0.34
NOTUM Q6P988 1/20 0.34
CASP1 P29466 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PFKFB3 Q16875 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL27862841 0.88 MDM2 (0.67) MDM2CD38GPR52NOTUMCASP1
SCHEMBL1437078 0.87 MDM2 (0.63) MDM2SLC16A3SLC16A1TRPV3NOTUM
SCHEMBL27879055 0.87 MDM2 (0.60) MDM2CD38GPR52NOTUMCASP1
SCHEMBL27879063 0.84 MDM2 (0.56) MDM2CD38GPR52NOTUMCASP1
SCHEMBL28799381 0.84 MDM2 (0.54) MDM2CD38CASP1
SCHEMBL27879068 0.83 MDM2 (0.51) MDM2GPR52CASP1
SCHEMBL1437076 0.82 MDM2 (0.75) MDM2SLC16A3SLC16A1TRPV3NOTUM
SCHEMBL28796354 0.82 MDM2 (0.67) MDM2CD38NOTUM
SCHEMBL27862926 0.82 MDM2 (0.54) MDM2CD38GPR52NOTUMCASP1
SCHEMBL9893939 0.80 MDM2 (0.54) MDM2SLC16A3SLC16A1TRPV3NOTUM

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