SCHEMBL29720484

SCHEMBL29720484

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@](C(=O)c2ccccc2)(n2ccc(N)nc2=O)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
TOP2A P11388 1/20 0.35
ST6GAL1 P15907 2/20 0.34
POLB P06746 1/20 0.33
PDE4D Q08499 1/20 0.32
PDE3A Q14432 1/20 0.32
SLC29A1 Q99808 1/20 0.32
POLA1 P09884 2/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
MTOR P42345 1/20 0.30
MDM2 Q00987 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL29950242 0.86 CYP3A4 (0.32) CYP3A4TOP2AST6GAL1
SCHEMBL4971197 0.84 PDE3A (0.41) ST6GAL1POLBPDE4DPDE3ASLC29A1
SCHEMBL5201335 0.82 TYMP (0.42) CYP3A4ST6GAL1
SCHEMBL29720399 0.80 ADORA1 (0.40)
SCHEMBL5709959 0.76 PDE3A (0.41) POLBPDE4DPDE3ASLC29A1LMNA
SCHEMBL22363161 0.75 POLA1 (0.42) POLBPDE4DPDE3ASLC29A1POLA1
SCHEMBL8627861 0.72 PDE3A (0.44) ST6GAL1POLBPDE4DPDE3ASLC29A1
SCHEMBL16401939 0.72 TYMP (0.42)
SCHEMBL19644955 0.72 PDE4D (0.38) TOP2APOLBPDE4DPDE3ASLC29A1
SCHEMBL5859677 0.71

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116656795-A Nucleotide derivatives and methods of use thereof 纽约哥伦比亚大学董事会 2023-08-29 CN disclosed
CN-114989235-A Design and synthesis of nucleotides based on novel disulfide linkers for use as reversible terminators for DNA sequencing by synthesis 哥伦比亚大学董事会 2022-09-02 CN disclosed
CN-108779138-B Design and synthesis of nucleotides based on novel disulfide linkers for use as reversible terminators for DNA sequencing by synthesis 哥伦比亚大学董事会 2022-06-17 CN disclosed