SCHEMBL29324308

SCHEMBL29324308

Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](COP(=O)(O)S)[C@@H](O)C1OP(=O)(S)OC[C@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)CC1O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 4/20 0.45
▸ POLB P06746 1/20 0.41
▸ RNASEL Q05823 4/20 0.41
▸ ENPP1 P22413 1/20 0.39
▸ P2RY1 P47900 1/20 0.39

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
SCHEMBL29330906 1.00 DTYMK (0.45) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL29330468 0.89 DTYMK (0.55) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL29323932 0.89 DTYMK (0.55) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL29330814 0.87 DTYMK (0.43) DTYMKPOLBENPP1P2RY1
SCHEMBL21896065 0.85 DTYMK (0.40) DTYMKPOLBRNASELENPP1P2RY1
SCHEMBL29324317 0.84 POLB (0.41) DTYMKPOLBRNASEL
SCHEMBL29324269 0.83 FHIT (0.39) DTYMKENPP1P2RY1
SCHEMBL23679809 0.81 RNASEL (0.40) POLBRNASELP2RY1
SCHEMBL23679479 0.81 DTYMK (0.36) DTYMKPOLBENPP1P2RY1
SCHEMBL23679562 0.81 RNASEL (0.49) RNASELP2RY1

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-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 — — EP disclosed
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