SCHEMBL7873202

SCHEMBL7873202

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
PRMT6 Q96LA8 1/20 0.41
ADORA3 P0DMS8 3/20 0.39
P2RY12 Q9H244 1/20 0.38
ADORA1 P30542 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL888001 0.92 ADORA3 (0.45) ADORA2AADORA2BADORA3P2RY12ADORA1
SCHEMBL7873199 0.91 PRMT6 (0.40) ADORA2APRMT6ADORA3P2RY12ADORA1
Hydroquinone SCHEMBL7070523 0.87 PRMT6 (0.41) ADORA2AADORA2BPRMT6ADORA3P2RY12
SCHEMBL4434106 0.87 ADORA2A (0.39) ADORA2AADORA2BPRMT6ADORA3P2RY12
SCHEMBL7075967 0.86 ADORA2B (0.39) ADORA2AADORA2BPRMT6ADORA3ADORA1
SCHEMBL6839735 0.85 ADORA2A (0.43) ADORA2AADORA2BPRMT6ADORA3ADORA1
SCHEMBL30901148 0.85 ADORA2A (0.54) ADORA2AADORA2BADORA3P2RY12ADORA1
SCHEMBL439196 0.85 ADORA2A (0.54) ADORA2AADORA2BADORA3P2RY12ADORA1
SCHEMBL21384845 0.83 TYMP (0.48) ADORA2AADORA2BPRMT6P2RY12
SCHEMBL2112014 0.83 ADORA2A (0.48) ADORA2AADORA2BADORA3ADORA1PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169170-B1 DUPLEX OLIGONUCLEOTIDE OF TWO COMPLEMENTARY STRANDS WHERE AT LEAST ONE STRAND HAS AT LEAST FIFTY PERCENT PHOSPHORAMIDATE LINKAGES AND AT LEAST TWO LINKAGES ARE CONSECUTIVE; ANTISENSE AGENTS WITH INCREASED PHOSPHODIESTERASE RESISTANCE LYNX THERAPEUTICS, INC. 2001-01-02 US disclosed
EP-0754242-A4 OLIGONUCLEOTIDE N3'-m(7)P5' PHOSPHORAMIDATES: SYNTHESIS AND COMPOUNDS; HYBRIDIZATION AND NUCLEASE RESISTANCE PROPERTIES LYNX THERAPEUTICS INC (US) 1997-06-11 EP disclosed
EP-0754242-A1 OLIGONUCLEOTIDE N3'$m(7)P5' PHOSPHORAMIDATES: SYNTHESIS AND COMPOUNDS; HYBRIDIZATION AND NUCLEASE RESISTANCE PROPERTIES LYNX THERAPEUTICS, INC. (US) 1997-01-22 EP disclosed
WO-1995025814-A1 OLIGONUCLEOTIDE N3'→P5' PHOSPHORAMIDATES: SYNTHESIS AND COMPOUNDS; HYBRIDIZATION AND NUCLEASE RESISTANCE PROPERTIES LYNX THERAPEUTICS, INC. (US) 1995-09-28 WO disclosed