SCHEMBL20691951

SCHEMBL20691951

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 8/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALB P02768 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL24060657 0.91 SLC29A1 (0.32) SLC29A1
SCHEMBL20692234 0.88 CNR2 (0.32) SLC29A1
SCHEMBL24680745 0.87 SLC29A1 (0.32) SLC29A1
SCHEMBL20691367 0.83 SLC29A1 (0.51) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL20692028 0.81 SLC29A1 (0.47) SLC29A1LMNAALDH1A1ALBMAPK1
SCHEMBL22349184 0.81 SLC29A1 (0.47) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL25688810 0.79 SLC29A1 (0.45) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL25688811 0.74 SLC29A1 (0.36) SLC29A1LMNARAB9ACYP3A4PKM
SCHEMBL24322061 0.72 POLA1 (0.32) —
SCHEMBL24680579 0.72 — —

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
EP-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP disclosed
WO-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
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