SCHEMBL4058008

SCHEMBL4058008

COc1ccc(C2(C#N)CCC(=O)C(=CN(C)C)C2)c2c3cc(F)ccc3n(C)c12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MYLK Q15746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HTT P42858 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4054965 0.89 KDR (0.35) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13693820 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4059484 0.78 PSEN1 (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4058784 0.77 KDM4E (0.34) KDM4EMYLKALDH1A1GLAGAA
SCHEMBL4053970 0.77 KDM4E (0.31) KDM4EMYLK
SCHEMBL4059762 0.77 TNKS (0.36) KDM4EMYLKALDH1A1GLAGAA
SCHEMBL13693578 0.76 PIN1 (0.31) KDM4E
SCHEMBL4063486 0.76 MYLK (0.33) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4051890 0.76 TNKS (0.35) KDM4EMYLKALDH1A1GLAGAA
SCHEMBL4540659 0.76 KDM4E (0.32) KDM4E

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
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 WO disclosed