SCHEMBL1859797

SCHEMBL1859797

CN1CN=c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)=C1O.Cc1cn(C2OC(CO)C(O)C2O)c(=S)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
PYGM P11217 3/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
BLM P54132 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
DNMT1 P26358 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL41683 0.85 KDM4E (0.47) ALDH1A1HTTBLMGMNNLMNA
SCHEMBL40665 0.81 PYGM (0.57) PYGMTK2
SCHEMBL18871260 0.81 PYGM (0.57) PYGMTK2
SCHEMBL28817 0.81 PYGM (0.57) PYGMTK2
SCHEMBL29754 0.81 PYGM (0.57) PYGMTK2
SCHEMBL15810706 0.81 PYGM (0.57) PYGMTK2
SCHEMBL2903546 0.81 PYGM (0.57) PYGMTK2
SCHEMBL17210997 0.81 PYGM (0.57) PYGMTK2
SCHEMBL21356432 0.76 PDE2A (0.44) ALDH1A1HTTBLMGMNNLMNA
SCHEMBL21685890 0.74 ADORA2A (0.49) LMNA

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-2010057160-A9 RELEASABLE FUSOGENIC LIPIDS FOR NUCLEIC ACIDS DELIVERY SYSTEMS ENZON PHARMACEUTICALS, INC. (US) 2011-05-05 WO disclosed