Sugi Predict

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SCHEMBL9017682

SCHEMBL9017682

Cc1cn([C@H]2C[C@H](O)[C@@H](CSCc3cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)O2)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.53
▸ TYMS P04818 1/20 0.53

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
SCHEMBL9017798 0.88 TK1 (0.53) TK1TYMS
SCHEMBL8656010 0.88 TYMS (0.59) TK1TYMS
SCHEMBL8656005 0.88 TYMS (0.59) TK1TYMS
SCHEMBL8742263 0.83 TK1 (0.51) TK1
SCHEMBL9017708 0.83 TK1 (0.51) TK1
SCHEMBL9017714 0.82 RNASE1 (0.63) TK1TYMS
SCHEMBL8655467 0.81 TYMS (0.66) TK1TYMS
SCHEMBL9550743 0.79 TK1 (0.64) TK1TYMS
SCHEMBL8527785 0.79 TK1 (0.64) TK1TYMS
SCHEMBL10593526 0.78 TK2 (0.57) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611075-B1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO CO (JP) 1996-12-18 — — EP disclosed
EP-0611075-A1 Modified oligodeoxyribonucleotides, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-08-17 — — EP disclosed