Sugi Predict

Sugi Predict / Compounds / SCHEMBL932058

SCHEMBL932058

SCHEMBL932058

Cc1cn([C@H]2C[C@H](O)[C@@H](C(O)OP(=O)(OC(O)[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)SC(O)[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)O2)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 8/20 0.54
▸ POLB P06746 1/20 0.49

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
SCHEMBL7201324 0.88 TK1 (0.60) TK1POLB
SCHEMBL932059 0.84 TK1 (0.58) TK1POLB
SCHEMBL28537470 0.82 TK1 (0.67) TK1POLB
SCHEMBL4308210 0.82 TK1 (0.56) TK1POLB
SCHEMBL7537554 0.81 TK1 (0.65) TK1POLB
SCHEMBL6379327 0.81 TK1 (0.67) TK1
SCHEMBL933747 0.81 TK1 (0.59) TK1POLB
SCHEMBL7525577 0.80 TK1 (0.61) TK1POLB
SCHEMBL27984187 0.80 TK1 (0.61) TK1POLB
SCHEMBL25752530 0.80 TK1 (0.70) TK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011005761-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS USE THEREOF ONTORII, INC (US) 2011-01-13 — — WO disclosed