SCHEMBL20908460

SCHEMBL20908460

OC[C@H]1O[C@@H](n2cnc3c2ncn2ncnc32)C[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.67
▸ PNP P00491 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ CSNK2A2 P19784 1/20 0.56
▸ CSNK2B P67870 1/20 0.56
▸ CSNK2A1 P68400 1/20 0.56
▸ CSNK2A3 Q8NEV1 1/20 0.56

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
Deoxyinosine SCHEMBL24307 0.83 HIF1A (0.73) HIF1APNPLMNATP53HTT
Deoxyinosine SCHEMBL2000526 0.83 HIF1A (0.73) HIF1APNPLMNATP53HTT
Deoxyinosine SCHEMBL324457 0.83 HIF1A (0.73) HIF1APNPLMNATP53HTT
Deoxyinosine SCHEMBL5982293 0.83 HIF1A (0.73) HIF1APNPLMNATP53HTT
Deoxyinosine SCHEMBL7191121 0.83 HIF1A (0.73) HIF1APNPLMNATP53HTT
SCHEMBL21011362 0.82 HIF1A (0.59) HIF1APNPLMNATP53HTT
Deoxyadenosine SCHEMBL23982174 0.82 HIF1A (0.71) HIF1APNPLMNATP53HTT
SCHEMBL21563936 0.82 HIF1A (0.71) HIF1APNPLMNATP53HTT
SCHEMBL21563846 0.82 HIF1A (0.71) HIF1APNPLMNATP53HTT
SCHEMBL5982817 0.82 HIF1A (0.75) HIF1APNPLMNATP53HTT

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
WO-2019074887-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 — — WO disclosed
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