SCHEMBL29026470

SCHEMBL29026470

C#C[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3A Q14432 1/20 0.32
SLC29A1 Q99808 1/20 0.32
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MTOR P42345 1/20 0.31
MDM2 Q00987 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL29026474 0.85 DUT (0.38) NT5E
SCHEMBL16644534 0.79 NT5E (0.34) NT5ELMNATHRBMTORMDM2
SCHEMBL18672071 0.78 PDE4D (0.44) NT5EPDE4DPDE3ASLC29A1LMNA
SCHEMBL22068883 0.78 LMNA (0.32) LMNATHRBMTORMDM2NCOA1
SCHEMBL15074430 0.77 SMYD2 (0.35) NT5EPDE4DPDE3ASLC29A1LMNA
SCHEMBL16374142 0.76 PDE4D (0.33) NT5EPDE4DPDE3ASLC29A1
SCHEMBL19590388 0.76 PDE4D (0.33) NT5EPDE4DPDE3ASLC29A1
SCHEMBL25400485 0.76 ALB (0.32)
SCHEMBL26275882 0.76 ALB (0.32)
SCHEMBL12769584 0.74 LMNA (0.43) NT5EPDE4DPDE3ASLC29A1LMNA

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
CN-114288313-B Application of pyrimidine nucleoside medicine in preparing medicine for preventing or treating coronavirus infectious diseases 常晓宇 2023-07-04 CN disclosed