SCHEMBL4623658

SCHEMBL4623658

CC(C)Cn1c(=O)[nH]c(=O)c2ncn(CCO)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.39
ADORA2A P29274 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
TK1 P04183 1/20 0.38
PDE1A P54750 2/20 0.37
PDE1B Q01064 2/20 0.37
PDE1C Q14123 2/20 0.37
PDE2A O00408 1/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
LMNA P02545 3/20 0.36

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
SCHEMBL23797830 0.88 HTT (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4796600 0.87 PDE4A (0.47) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL5647 0.82 ADORA2A (0.43) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3110932 0.80 PDE1A (0.53) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL652922 0.77 MAPK1 (0.39) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4623478 0.75 KDM4E (0.38) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL28151874 0.73 TK1 (0.50) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4623458 0.72 PDE4A (0.63) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6251096 0.72 PDE4A (0.64) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL28324506 0.71 LMNA (0.41) PDE4AADORA2APDE4BPDE4CPDE4D

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-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 WO disclosed