SCHEMBL9548647

SCHEMBL9548647

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.45
NT5M Q9NPB1 1/20 0.40

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
SCHEMBL9548644 1.00 TK1 (0.45) TK1NT5M
SCHEMBL1417825 0.90 TK1 (0.49) TK1
SCHEMBL1417827 0.90 TK1 (0.49) TK1
SCHEMBL1417544 0.86 TK1 (0.51) TK1
SCHEMBL1417543 0.86 TK1 (0.51) TK1
SCHEMBL9548873 0.84 TOP2A (0.40) TK1NT5M
SCHEMBL9548870 0.84 TOP2A (0.40) TK1NT5M
SCHEMBL9548693 0.83 DUT (0.36)
SCHEMBL9548689 0.83 DUT (0.36)
SCHEMBL9548728 0.79 TK1 (0.41) TK1NT5M

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