SCHEMBL9548669

SCHEMBL9548669

CC(=O)OC[C@@]1(C#N)O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUT P33316 6/20 0.38
TDP1 Q9NUW8 1/20 0.33
P2RY6 Q15077 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9548678 1.00 DUT (0.38) DUTTDP1P2RY6MEN1KMT2A
SCHEMBL9548873 0.85 TOP2A (0.40)
SCHEMBL9548870 0.85 TOP2A (0.40)
SCHEMBL9548726 0.84 PDE3A (0.37)
SCHEMBL9548721 0.84 PDE3A (0.37)
SCHEMBL9548693 0.84 DUT (0.36) DUTTDP1P2RY6
SCHEMBL9548689 0.84 DUT (0.36) DUTTDP1P2RY6
SCHEMBL13575545 0.81 DUT (0.38) DUTTDP1P2RY6
SCHEMBL25399057 0.79 DUT (0.45) DUTP2RY6
SCHEMBL26275575 0.79 DUT (0.45) DUTP2RY6

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