SCHEMBL16631317

SCHEMBL16631317

CCc1cn(Cc2cn([C@@H]3O[C@H](C)C(O)[C@@H]3O)c(=O)[nH]c2=O)nn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
PMP22 Q01453 1/20 0.53
HBB P68871 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DNPH1 O43598 1/20 0.40
PYGM P11217 3/20 0.38
TK2 O00142 3/20 0.36
P2RY2 P41231 2/20 0.36
TK1 P04183 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
SCHEMBL16631606 0.88 PYGM (0.53) DNPH1PYGMTK2P2RY2TK1
SCHEMBL16631531 0.86 TSHR (0.53) TSHRLMNAMAPTPMP22HBB
SCHEMBL18464477 0.83 TSHR (0.69) TSHRLMNAMAPTPMP22HBB
SCHEMBL18080061 0.79 P2RY6 (0.62) DNPH1P2RY2
SCHEMBL16631591 0.76 PYGM (0.55) DNPH1PYGMTK2P2RY2TK1
SCHEMBL16631203 0.75 TSHR (0.49) TSHRLMNAMAPTPMP22HBB
SCHEMBL16631514 0.74 PYGM (0.49) DNPH1PYGMTK2P2RY2TK1
SCHEMBL16631628 0.74 PYGM (0.53) DNPH1PYGMTK2P2RY2TK1
SCHEMBL16631649 0.74 PYGM (0.53) MAPTDNPH1PYGMTK2P2RY2
SCHEMBL18081754 0.74 CHRNE (0.35)

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed