SCHEMBL6827449

SCHEMBL6827449

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@]2(CNC(=O)C(F)(F)F)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK2 O00142 8/20 0.32
TK1 P04183 4/20 0.32

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
SCHEMBL6829890 0.91 TK2 (0.34) TK2TK1
SCHEMBL6830095 0.86 TK2 (0.35) TK2TK1
SCHEMBL6827472 0.85 TK1 (0.32) TK2TK1
SCHEMBL7156616 0.83 TK2 (0.31) TK2TK1
SCHEMBL6830082 0.80 TK1 (0.39) TK2TK1
SCHEMBL1096963 0.79 TK2 (0.32) TK2TK1
SCHEMBL6827481 0.79 RNASE1 (0.36) TK1
SCHEMBL1097588 0.78 TYMP (0.32) TK2TK1
SCHEMBL22984007 0.78 RNASE1 (0.40) TK2TK1
SCHEMBL9550769 0.78 RNASE1 (0.40) TK2TK1

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
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed
US-6191266-B1 MODIFIED TO COMPRISE SUBSTITUTIONS AT POSITIONS C1', C3', C4' OR C5' OF THE SUGAR MOIETY OF THE NUCLEOSIDE, INCLUDING AN OPTIONAL 3' PHOSPHOROAMIDITE GROUP; USE IN MAKING NUCLEASE RESISTANT OLIGONUCLEOTIDES FOR ANTISENSE THERAPY ICN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed