SCHEMBL18769113

SCHEMBL18769113

C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=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@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.71
FUT5 Q11128 1/20 0.68
KRAS P01116 2/20 0.67
NT5E P21589 1/20 0.67
DCPS Q96C86 1/20 0.64
P2RX3 P56373 3/20 0.62
P2RY2 P41231 3/20 0.61
P2RY6 Q15077 2/20 0.61
P2RY4 P51582 1/20 0.61
P2RY1 P47900 4/20 0.58
P2RX1 P51575 2/20 0.58
P2RX4 Q99571 2/20 0.58
SRC P12931 1/20 0.58
P2RX2 Q9UBL9 1/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HINT1 P49773 1/20 0.58
ENPP1 P22413 1/20 0.58
P2RY11 Q96G91 1/20 0.58
IMPDH2 P12268 1/20 0.57

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
SCHEMBL18769057 1.00 TGM2 (0.71) TGM2FUT5KRASNT5EDCPS
SCHEMBL18769186 1.00 TGM2 (0.71) TGM2FUT5KRASNT5EDCPS
SCHEMBL26067553 1.00 TGM2 (0.71) TGM2FUT5KRASNT5EDCPS
SCHEMBL26067623 1.00 TGM2 (0.71) TGM2FUT5KRASNT5EDCPS
SCHEMBL18769131 1.00 TGM2 (0.71) TGM2FUT5KRASNT5EDCPS
SCHEMBL26067670 1.00 TGM2 (0.71) TGM2FUT5KRASNT5EDCPS
SCHEMBL26067669 0.96 TGM2 (0.66) TGM2FUT5KRASNT5EDCPS
SCHEMBL26067627 0.96 TGM2 (0.66) TGM2FUT5KRASNT5EDCPS
SCHEMBL13134414 0.96 TGM2 (0.66) TGM2FUT5KRASNT5EDCPS
SCHEMBL18769112 0.96 TGM2 (0.68) TGM2FUT5KRASNT5EDCPS

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-2017066793-A1 MRNA CAP ANALOGS AND METHODS OF MRNA CAPPING MODERNATX, INC. (US) 2017-04-20 WO disclosed