SCHEMBL8969968

SCHEMBL8969968

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.44
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
SLC29A1 Q99808 3/20 0.42
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL2111739 0.93 TYMP (0.48) TYMPADORA2AADORA2BSLC29A1ADORA1
SCHEMBL5580213 0.84 ADORA1 (0.57) TYMPADORA2BADORA1ADORA3PRMT5
SCHEMBL9096320 0.84 TYMP (0.56) TYMPADORA2AADORA2BSLC29A1ADORA1
SCHEMBL2111737 0.82 PRMT5 (0.45) TYMPSLC29A1ADORA1PRMT5WDR77
SCHEMBL15954506 0.82 TYMP (0.40) TYMPADORA2AADORA2BSLC29A1ADORA1
SCHEMBL6394670 0.80 ADORA1 (0.48) TYMPADORA1PRMT5WDR77
SCHEMBL2115367 0.80 ADORA2A (0.55) ADORA2AADORA2BADORA1ADORA3PRKAG1
SCHEMBL8970099 0.79 TYMP (0.34) TYMPADORA2AADORA2BSLC29A1ADORA1
SCHEMBL439196 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA1ADORA3PRKAG1
SCHEMBL30901148 0.79 ADORA2A (0.54) ADORA2AADORA2BADORA1ADORA3PRKAG1

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
US-5525719-A N-protected-2'-O-methyl-and N-protected-3'-O-methyl-ribonucleosides and their phosphoramidite derivatives CHEMGENES CORPORATION (US) 1996-06-11 US disclosed
US-5525719-A N-protected-2'-O-methyl-and N-protected-3'-O-methyl-ribonucleosides and their phosphoramidite derivatives CHEMGENES CORPORATION (US) 1996-06-11 US disclosed