SCHEMBL14639338

SCHEMBL14639338

CCc1c[nH]c(=O)n(CC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
CYP1A2 P05177 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2B P29275 4/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GRIA1 P42261 1/20 0.35

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
SCHEMBL7213477 0.80 ADRA1D (0.36) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL26948740 0.80 ADORA2B (0.44) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8876920 0.79 SLC9A1 (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7833004 0.78 ADRA1D (0.43) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL12657637 0.78 ADORA2A (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL27989701 0.78 CYP1A2 (0.51) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL13469216 0.77 ADORA2A (0.35) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11335748 0.75 ADRA1D (0.31) ADRA1DADRA1AADRA1B
SCHEMBL26776276 0.75 GRIN2D (0.30)
SCHEMBL13384451 0.75 ADORA2A (0.39) ADORA2APDE4APDE4BPDE4CPDE4D

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-2013013013-A2 COMPOSITIONS AND METHODS FOR PRODUCING MODIFIED GLYCOPROTEINS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-01-24 WO disclosed