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SCHEMBL6894698

SCHEMBL6894698

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(OC(=O)N(c5ccccc5)c5ccccc5)nc(NC(C)c5cn(C(=O)N(c6ccccc6)c6ccccc6)cn5)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 11/20 0.45
▸ ADORA3 P0DMS8 5/20 0.34
▸ ADORA2A P29274 5/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ ADORA2B P29275 2/20 0.34

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
SCHEMBL6899599 0.87 ADORA3 (0.40) ADORA3ADORA2AADORA1
SCHEMBL7054361 0.86 TYMP (0.33) TYMP
SCHEMBL9239003 0.86 TYMP (0.49) TYMPADORA3ADORA1
SCHEMBL30274886 0.83 TYMP (0.56) TYMPADORA1
SCHEMBL30274730 0.83 TYMP (0.56) TYMPADORA1
SCHEMBL30274714 0.77 TYMP (0.60) TYMP
SCHEMBL30274727 0.77 TYMP (0.60) TYMP
SCHEMBL14665048 0.77 TYMP (0.59) TYMPADORA3ADORA1
SCHEMBL1064717 0.77 TYMP (0.59) TYMPADORA3ADORA1
SCHEMBL30002219 0.77 TYMP (0.56) TYMPADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 — — EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 — — EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 — — US disclosed