SCHEMBL16401780

SCHEMBL16401780

COc1ccc(C(OC[C@H]2O[C@@](C(=O)COc3ccccc3)(n3cnc4c(N)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.45
ADORA1 P30542 2/20 0.41
NT5E P21589 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
CHKA P35790 1/20 0.36
TRDMT1 O14717 1/20 0.35
CARM1 Q86X55 1/20 0.35
DOT1L Q8TEK3 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
SCHEMBL16401943 0.86 TYMP (0.49) TYMP
SCHEMBL29812366 0.85 ADORA1 (0.44) TYMPADORA1NT5E
SCHEMBL16401939 0.84 TYMP (0.42) TYMP
SCHEMBL28226983 0.79 TYMP (0.48) TYMPADORA1NT5ENSD3TRDMT1
SCHEMBL7563202 0.77 ADORA1 (0.38) TYMPADORA1NT5E
SCHEMBL4464738 0.76 TYMP (0.45) TYMPADORA1NT5ETRDMT1CARM1
SCHEMBL7061902 0.76 ADORA2A (0.43) TYMPADORA1NSD3CARM1DOT1L
SCHEMBL7897645 0.76 TYMP (0.50) TYMP
SCHEMBL1774838 0.74 TYMP (0.63) TYMPADORA1NT5E
SCHEMBL7871248 0.74 TYMP (0.63) TYMPADORA1NT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004131-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM Chemicals Llc (US) 2016-04-13 EP disclosed
WO-2014197714-A1 PHOSPHORAMIDITE BUILDING BLOCKS FOR SUGAR-CONJUGATED OLIGONUCLEOTIDES AM CHEMICALS LLC (US) 2014-12-11 WO disclosed