SCHEMBL7873199

SCHEMBL7873199

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.40
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
P2RY12 Q9H244 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PAX8 Q06710 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
SCHEMBL888000 0.92 ADORA3 (0.43) PRMT6ADORA3ADORA2AADORA1P2RY12
SCHEMBL7873202 0.91 ADORA2A (0.42) PRMT6ADORA3ADORA2AADORA1P2RY12
SCHEMBL5354472 0.90 ADORA3 (0.41) PRMT6ADORA3ADORA2AADORA1P2RY12
SCHEMBL439195 0.85 PRMT5 (0.45) ADORA3ADORA2AP2RY12
SCHEMBL2112012 0.84 ADORA3 (0.43) PRMT6ADORA3P2RY12
SCHEMBL7523809 0.83 PRMT5 (0.45) ADORA3ADORA2AP2RY12
SCHEMBL888001 0.83 ADORA3 (0.45) ADORA3ADORA2AADORA1P2RY12
SCHEMBL2112346 0.81 ADORA3 (0.43) ADORA3ADORA2AADORA1P2RY12PAX8
SCHEMBL887979 0.80 PRMT6 (0.36) PRMT6ADORA3ADORA2AADORA1P2RY12
SCHEMBL9773291 0.78 ADORA3 (0.40) ADORA3ADORA2AADORA1PAX8

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