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Sugi Predict / Compounds / SCHEMBL18769520

SCHEMBL18769520

SCHEMBL18769520

CO[C@H]1C(n2cnc3c(=O)[nH]c(N)nc32)OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2CN(Cc3ccccc3)C[C@H](N3CN(C)c4c3nc(N)[nH]c4=O)O2)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ KRAS P01116 7/20 0.47
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ NT5E P21589 1/20 0.46
▸ FUT6 P51993 4/20 0.45
▸ DCPS Q96C86 1/20 0.44
▸ HINT1 P49773 1/20 0.43

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
SCHEMBL18763554 1.00 FUT5 (0.48) FUT5TGM2TAS1R3TAS1R1KRAS
SCHEMBL18763248 0.94 FUT5 (0.55) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18769176 0.94 FUT5 (0.55) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763259 0.94 FUT5 (0.55) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763552 0.92 FUT5 (0.51) FUT5TGM2TAS1R3TAS1R1KRAS
SCHEMBL18763610 0.91 TGM2 (0.52) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763615 0.91 TGM2 (0.52) FUT5TGM2KRASP2RY2P2RY4
SCHEMBL18763551 0.90 FUT5 (0.53) FUT5TGM2TAS1R3TAS1R1KRAS
SCHEMBL18763256 0.90 FUT5 (0.45) FUT5TGM2TAS1R3TAS1R1KRAS
SCHEMBL18763249 0.90 FUT5 (0.53) FUT5TGM2KRASP2RY2P2RY4

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