SCHEMBL24060657

SCHEMBL24060657

O=[N+]([O-])c1ccc(CCOc2nc3nccn3c3c2ncn3C2CCC(COI)O2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 8/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ CYP19A1 P11511 2/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL20691951 0.91 SLC29A1 (0.37) SLC29A1
SCHEMBL20692234 0.89 CNR2 (0.32) SLC29A1CNR2
SCHEMBL24680745 0.87 SLC29A1 (0.32) SLC29A1
SCHEMBL20691367 0.77 SLC29A1 (0.51) SLC29A1
SCHEMBL25688810 0.76 SLC29A1 (0.45) SLC29A1
SCHEMBL22349184 0.75 SLC29A1 (0.47) SLC29A1
SCHEMBL20692028 0.72 SLC29A1 (0.47) SLC29A1
SCHEMBL25688811 0.71 SLC29A1 (0.36) SLC29A1
SCHEMBL24680579 0.71 — —
SCHEMBL24322061 0.70 POLA1 (0.32) —

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-3676279-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2021-12-01 — — EP disclosed
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