SCHEMBL16631213

SCHEMBL16631213

C[C@H]1O[C@@H](n2cc(Cc3cn(-c4ccccc4)nn3)c(N)nc2=O)[C@@H](O)C1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADK P55263 5/20 0.39
NOTUM Q6P988 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAOA P21397 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 2/20 0.37
ESRRA P11474 1/20 0.37
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL16631367 0.88 LMNA (0.48) ADORA3ADORA1LMNACA1CA2
SCHEMBL16631203 0.82 TSHR (0.49) NOTUML3MBTL1MAOAESRRACD74
SCHEMBL18080047 0.79 P2RY2 (0.54)
SCHEMBL16631399 0.77 NOTUM (0.49) NOTUML3MBTL1MAOAESRRACD74
SCHEMBL21130861 0.76 ADK (0.45) ADKADORA3LMNA
SCHEMBL16631641 0.76 ADK (0.43) ADKADORA3ADORA1NPC1
SCHEMBL7913210 0.74 DHFR (0.48) ADKADORA1LMNA
SCHEMBL7913201 0.74 DHFR (0.48) ADKADORA1LMNA
SCHEMBL16631403 0.74 ADORA3 (0.49) ADORA3ADORA1LMNA
SCHEMBL18080380 0.74 NOTUM (0.46) NOTUML3MBTL1MAOAESRRACD74

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