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Sugi Predict / Compounds / SCHEMBL8772067

SCHEMBL8772067

SCHEMBL8772067

CCC(=O)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.40
▸ RNASE1 P07998 1/20 0.39
▸ TK1 P04183 4/20 0.38
▸ NT5M Q9NPB1 1/20 0.38
▸ HDAC1 Q13547 2/20 0.36
▸ TK2 O00142 1/20 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
SCHEMBL8772065 1.00 TOP2A (0.40) TOP2ARNASE1TK1NT5MHDAC1
SCHEMBL8772040 0.92 TOP2A (0.41) TOP2ARNASE1TK1NT5MHDAC1
SCHEMBL8772035 0.92 TOP2A (0.41) TOP2ARNASE1TK1NT5MHDAC1
SCHEMBL5191057 0.85 TOP2A (0.41) TOP2ARNASE1TK1NT5MTK2
SCHEMBL12942598 0.85 TOP2A (0.41) TOP2ARNASE1TK1NT5MTK2
SCHEMBL5191053 0.85 TOP2A (0.41) TOP2ARNASE1TK1NT5MTK2
SCHEMBL5188458 0.84 TOP2A (0.41) TOP2ARNASE1TK1NT5MHDAC1
SCHEMBL12942597 0.84 TOP2A (0.41) TOP2ARNASE1TK1NT5MHDAC1
SCHEMBL5188453 0.84 TOP2A (0.41) TOP2ARNASE1TK1NT5MHDAC1
SCHEMBL15354281 0.83 TOP2A (0.40) TOP2ARNASE1TK1NT5MHDAC1

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
EP-0799834-A1 Modified nucleotides Novartis AG (CH) 1997-10-08 — — EP disclosed