SCHEMBL10706957

SCHEMBL10706957

COc1ccc(C(OC[C@]2(n3cnc4c(O)ncnc43)CC[C@H]3OC(C)(C)O[C@H]32)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.35
▸ SLC6A1 P30531 2/20 0.33
▸ SLC6A11 P48066 2/20 0.33
▸ HPGD P15428 1/20 0.30
▸ SLC6A12 P48065 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
SCHEMBL10695744 0.80 SLC6A11 (0.36) TYMPSLC6A1SLC6A11SLC6A12
SCHEMBL10394331 0.79 TYMP (0.37) TYMPSLC6A1SLC6A11HPGDSLC6A12
SCHEMBL10394925 0.78 TYMP (0.38) TYMPSLC6A1SLC6A11HPGDSLC6A12
SCHEMBL10700145 0.77 SLC6A1 (0.30) TYMPSLC6A1SLC6A11
SCHEMBL10760950 0.68 TYMP (0.33) TYMPSLC6A1SLC6A11HPGD
SCHEMBL23630131 0.66 TYMP (0.72) TYMP
SCHEMBL20579728 0.66 TYMP (0.72) TYMP
SCHEMBL12541750 0.64 SLC29A1 (0.39) TYMP
SCHEMBL12614154 0.64 SLC29A1 (0.39) TYMP
SCHEMBL10394332 0.62 TYMP (0.54) TYMPSLC6A1SLC6A11HPGDSLC6A12

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
EP-0278501-A2 Nucleotide analogs, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-08-17 — — EP disclosed
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