Sugi Predict

Sugi Predict / Compounds / SCHEMBL9017734

SCHEMBL9017734

SCHEMBL9017734

Cc1cn([C@H]2C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](CSCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O2)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.38
▸ TK1 P04183 4/20 0.37
▸ TK2 O00142 2/20 0.36
▸ TOP2A P11388 2/20 0.36

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
SCHEMBL5481131 0.90 RNASE1 (0.39) RNASE1TK1TK2TOP2A
SCHEMBL8742294 0.90 RNASE1 (0.39) RNASE1TK1TK2TOP2A
SCHEMBL9550734 0.85 RNASE1 (0.43) RNASE1TK1TK2
SCHEMBL8659511 0.84 TYMS (0.41) RNASE1TK1TK2
SCHEMBL8742417 0.84 RNASE1 (0.39) RNASE1TK1TK2
SCHEMBL8656814 0.83 RNASE1 (0.39) RNASE1TK1TK2
SCHEMBL8656850 0.82 RNASE1 (0.42) RNASE1TK1TK2
SCHEMBL9550748 0.81 TK2 (0.40) RNASE1TK1TK2
SCHEMBL12991085 0.81 RNASE1 (0.42) RNASE1TK1
SCHEMBL25505425 0.81 RNASE1 (0.42) RNASE1TK1

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