SCHEMBL9548873

SCHEMBL9548873

CC(=O)OC[C@@]1(C#N)O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.40
TK1 P04183 6/20 0.38
NT5M Q9NPB1 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
SCHEMBL9548870 1.00 TOP2A (0.40) TOP2ATK1NT5M
SCHEMBL3317625 0.92 TK1 (0.41) TOP2ATK1
SCHEMBL3317630 0.92 TK1 (0.41) TOP2ATK1
SCHEMBL9548669 0.85 DUT (0.38)
SCHEMBL9548678 0.85 DUT (0.38)
SCHEMBL9548647 0.84 TK1 (0.45) TK1NT5M
SCHEMBL9548644 0.84 TK1 (0.45) TK1NT5M
SCHEMBL1417674 0.81 TK1 (0.45) TOP2ATK1
SCHEMBL1417676 0.81 TK1 (0.45) TOP2ATK1
SCHEMBL1417610 0.81 TK1 (0.45) TOP2ATK1

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed