SCHEMBL13833769

SCHEMBL13833769

Cc1cn(CCC(N)=O)c(=O)n(CCCCn2c(=O)c(C)cn(CCC(N)=O)c2=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KDM4E B2RXH2 1/20 0.37
CNR2 P34972 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
TNF P01375 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL13833787 0.86 KDM4E (0.43) KDM4EMEN1KMT2A
SCHEMBL13833765 0.82 ALDH1A1 (0.41) KDM4ECNR2TNFMEN1KMT2A
SCHEMBL9120180 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL13833770 0.81 MEN1 (0.54) TNFMEN1KMT2ALMNA
SCHEMBL8026931 0.72 ALDH1A1 (0.51) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9123408 0.71 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL13724897 0.69 TYMP (0.54) KMT2ALMNA
SCHEMBL893382 0.67 PTGS1 (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7606566 0.67 TRPC5 (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8071799 0.67 TRPC5 (0.43) PDE4APDE4BPDE4CPDE4DKDM4E

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-2012149604-A1 BIS-THYMINE DERIVATIVES AND PHOTO-REVERSIBLE POLYMERS THEREOF MONASH UNIVERSITY (AU) 2012-11-08 WO disclosed