SCHEMBL2056705

SCHEMBL2056705

COC[C@H]1O[C@@H](n2cnc3c(NC(=O)C(=O)[C@@H](N)[C@@H](C)O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.60
TARS1 P26639 2/20 0.57
PRMT5 O14744 2/20 0.56
WDR77 Q9BQA1 2/20 0.56
ADORA1 P30542 1/20 0.55
PRKAG1 P54619 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
DOT1L Q8TEK3 2/20 0.52
P2RY12 Q9H244 1/20 0.52
PRMT1 Q99873 1/20 0.51

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
SCHEMBL3692894 0.91 PRMT5 (0.60) PRMT5WDR77
SCHEMBL2033392 0.88 TARS1 (0.60) ADORA3TARS1PRMT5WDR77ADORA1
SCHEMBL6429185 0.86 ADORA3 (0.66) ADORA3TARS1PRMT5WDR77ADORA1
SCHEMBL29047902 0.83 ADORA2A (0.60)
SCHEMBL29047905 0.83 ADORA2A (0.60)
SCHEMBL5155877 0.83 TARS1 (0.62) TARS1PRMT5WDR77ADORA1DOT1L
SCHEMBL2988353 0.81 P2RY12 (0.68) TARS1ADORA1PRKAG1PRKAA1PRKAB1
SCHEMBL8161496 0.81 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1
SCHEMBL6661329 0.81 ADORA3 (0.67) ADORA3ADORA1
SCHEMBL9413282 0.80 ADORA3 (0.74) ADORA3ADORA1DOT1LPRMT1

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
US-7901892-B2 Methods and compositions for determining the purity of chemically synthesized nucleic acids NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-08 US disclosed