SCHEMBL21454874

SCHEMBL21454874

Nc1nc2c(ncn2C2OC(C(O)CO)C[C@@H]2OP(=O)(O)OC[C@@H]2C[C@@H](O)C(n3cnc4c(N)ncnc43)O2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.50
▸ TGM2 P21980 1/20 0.46
▸ DTYMK P23919 2/20 0.46
▸ STING1 Q86WV6 4/20 0.45
▸ NT5E P21589 1/20 0.44
▸ TERT O14746 1/20 0.44
▸ RNASEL Q05823 1/20 0.44

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
SCHEMBL21454900 1.00 FUT5 (0.50) FUT5TGM2DTYMKSTING1NT5E
SCHEMBL21454721 0.93 FUT5 (0.48) FUT5TGM2DTYMKSTING1
SCHEMBL21454925 0.91 FUT5 (0.47) FUT5TGM2DTYMKSTING1TERT
SCHEMBL22326749 0.91 FUT5 (0.53) FUT5TGM2DTYMKSTING1NT5E
SCHEMBL20108299 0.85 F2 (0.53) FUT5TGM2DTYMKSTING1TERT
SCHEMBL22326788 0.83 RNASEL (0.62) RNASEL
SCHEMBL22326712 0.83 RNASEL (0.62) RNASEL
SCHEMBL22352076 0.83 FUT5 (0.49) FUT5TGM2DTYMKSTING1NT5E
SCHEMBL20325247 0.83 FUT5 (0.50) FUT5TGM2DTYMKSTING1NT5E
SCHEMBL20327571 0.83 FUT5 (0.56) FUT5STING1RNASEL

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-2019193542-A1 2'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-10-10 — — WO disclosed
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