SCHEMBL1437652

SCHEMBL1437652

CCOC(=O)c1cn(-c2cccc(Cl)c2F)c(C2CCCC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 12/20 0.38
GABRB2 P47870 12/20 0.38
MDM2 Q00987 2/20 0.35
KLKB1 P03952 1/20 0.34
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TGFBR1 P36897 1/20 0.32

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
SCHEMBL9894116 0.86 GABRA2 (0.46) GABRA2GABRB2MDM2
SCHEMBL1437358 0.85 MDM2 (0.41) MDM2PDE4BPDE4APDE4CPDE4D
SCHEMBL1437375 0.81 MDM2 (0.45) GABRA2GABRB2MDM2KLKB1
SCHEMBL1438066 0.81 MDM2 (0.57) MDM2PDE4BPDE4APDE4CPDE4D
SCHEMBL1437715 0.77 MDM2 (0.37) GABRA2GABRB2MDM2PDE4BPDE4D
SCHEMBL1437544 0.77 KDM4E (0.32) MDM2KDM4EALDH1A1TSHRTDP1
SCHEMBL1437021 0.74 MDM2 (0.68) MDM2
SCHEMBL1437275 0.74 MDM2 (0.67) MDM2
SCHEMBL9894095 0.72 MDM2 (0.46) GABRA2GABRB2MDM2
SCHEMBL14692500 0.72 GABRA2 (0.51) GABRA2GABRB2PDE4B

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
EP-2470502-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS Novartis AG (CH) 2012-07-04 EP disclosed
WO-2011023677-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2011-03-03 WO disclosed