SCHEMBL26561375

SCHEMBL26561375

C[n+]1cn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H](O)[C@H]3O)C(O)C2O)c2nc(NCc3ccccc3)[nH]c(=O)c21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.60
HINT1 P49773 1/20 0.58
KRAS P01116 2/20 0.57
FUT5 Q11128 1/20 0.57
FUT6 P51993 4/20 0.55
NT5E P21589 2/20 0.55
IMPDH2 P12268 1/20 0.54
IMPDH1 P20839 1/20 0.54
DCPS Q96C86 1/20 0.54
P2RX3 P56373 1/20 0.54
P2RX2 Q9UBL9 1/20 0.54
P2RY2 P41231 1/20 0.53
P2RY4 P51582 1/20 0.53
P2RY6 Q15077 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52

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
SCHEMBL26067670 0.90 TGM2 (0.71) TGM2HINT1KRASFUT5NT5E
SCHEMBL26067623 0.90 TGM2 (0.71) TGM2HINT1KRASFUT5NT5E
SCHEMBL18769057 0.90 TGM2 (0.71) TGM2HINT1KRASFUT5NT5E
SCHEMBL18769186 0.90 TGM2 (0.71) TGM2HINT1KRASFUT5NT5E
SCHEMBL18769131 0.90 TGM2 (0.71) TGM2HINT1KRASFUT5NT5E
SCHEMBL26067553 0.90 TGM2 (0.71) TGM2HINT1KRASFUT5NT5E
SCHEMBL18769113 0.90 TGM2 (0.71) TGM2HINT1KRASFUT5NT5E
SCHEMBL26067669 0.86 TGM2 (0.66) TGM2KRASFUT5NT5EDCPS
SCHEMBL26067627 0.86 TGM2 (0.66) TGM2KRASFUT5NT5EDCPS
SCHEMBL13134414 0.86 TGM2 (0.66) TGM2HINT1KRASFUT5NT5E

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-2023199261-A1 RNA MOLECULE CONTAINING MODIFIED CAP ANALOGS AT THE 5 ' END, USE OF RNA MOLECULE IN IN VITRO PROTEIN OR PEPTIDE SYNTHESIS, RNA MOLECULE FOR USE IN MEDICINE, AND USE OF MODIFIED CAP ANALOGS FOR RNA CAPPING UNIWERSYTET WARSZAWSKI (PL) 2023-10-19 WO disclosed