Sugi Predict

Sugi Predict / Compounds / SCHEMBL6830791

SCHEMBL6830791

SCHEMBL6830791

COC[C@]1(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[PH](O)(CCC#N)N(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NT5M Q9NPB1 1/20 0.33
▸ TK2 O00142 6/20 0.33
▸ RNASE1 P07998 1/20 0.33
▸ TK1 P04183 6/20 0.33

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
SCHEMBL7156635 0.90 RNASE1 (0.31) NT5MRNASE1TK1
SCHEMBL6830783 0.83 TK2 (0.33) TK2TK1
SCHEMBL3290516 0.83 RNASE1 (0.43) TK2RNASE1TK1
SCHEMBL6830784 0.80 RNASE1 (0.39) NT5MTK2RNASE1TK1
SCHEMBL6830445 0.80 TK1 (0.42) NT5MTK2RNASE1TK1
SCHEMBL6830442 0.80 TK1 (0.42) NT5MTK2RNASE1TK1
SCHEMBL6830104 0.79 TK1 (0.34) TK2RNASE1TK1
SCHEMBL6830086 0.79 TK1 (0.34) TK2RNASE1TK1
SCHEMBL2710682 0.77 RNASE1 (0.42) RNASE1
SCHEMBL2594578 0.77 RNASE1 (0.42) TK2RNASE1TK1

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