SCHEMBL10696436

SCHEMBL10696436

CO[C@@H]1C[C@](COC(c2ccccc2)(c2ccccc2)c2ccccc2)(n2cnc3c(N)[nH]c(=O)nc32)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.36
▸ TK1 P04183 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
SCHEMBL10394457 0.89 PNP (0.40) TYMP
SCHEMBL10394926 0.84 TYMP (0.51) TYMP
SCHEMBL10696433 0.82 TYMP (0.41) TYMP
SCHEMBL10394454 0.71 TYMP (0.44) TYMP
SCHEMBL10394453 0.71 TYMP (0.44) TYMP
SCHEMBL10394333 0.68 TYMP (0.46) TYMPTK1
SCHEMBL10394332 0.63 TYMP (0.54) TYMP
SCHEMBL30631035 0.62 TYMP (0.43) TYMP
SCHEMBL10394925 0.61 TYMP (0.38) TYMP
SCHEMBL10394331 0.59 TYMP (0.37) TYMP

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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