SCHEMBL19732273

SCHEMBL19732273

Cc1cn(C)c(=O)n(CCC#N)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.38
CYP1A2 P05177 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
MAPK1 P28482 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21265816 0.81 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL6217047 0.78 ADORA2B (0.38) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9117929 0.77 HSD17B10 (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL21265817 0.76 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL26940381 0.76 KDM4E (0.42) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7834052 0.75 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL27338495 0.72 ADORA2B (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL30555617 0.71 SLC9A1 (0.46) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL11435885 0.71 KDM4E (0.40) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL8071799 0.71 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-2017218454-A1 HYDROPHOBIC INTERACTION CHROMATOGRAPHY FOR PURIFICATION OF OLIGONUCLEOTIDES BIOGEN MA INC. (US) 2017-12-21 WO disclosed