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Sugi Predict / Compounds / SCHEMBL23679394

SCHEMBL23679394

SCHEMBL23679394

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)C(O)C2OP(=O)(O)OC[C@@H]2CC[C@H](n3cnc4c(N)cncc4c3=O)O2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ RNASEL Q05823 8/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ NT5E P21589 1/20 0.50
▸ FUT5 Q11128 1/20 0.49
▸ P2RY2 P41231 1/20 0.48
▸ P2RY4 P51582 1/20 0.48
▸ P2RY6 Q15077 1/20 0.48
▸ KRAS P01116 1/20 0.47

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
SCHEMBL23679644 0.89 TAS1R3 (0.51) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL29324598 0.88 POLB (0.49) TAS1R3TAS1R1TGM2NT5EFUT5
SCHEMBL20324735 0.81 RNASEL (0.62) TAS1R3TAS1R1RNASELP2RY2
SCHEMBL22352203 0.81 RNASEL (0.59) RNASEL
SCHEMBL22524139 0.80 RNASEL (0.58) RNASEL
SCHEMBL20763046 0.80 FUT5 (0.57) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL2315645 0.80 NT5E (0.69) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL29330757 0.80 RNASEL (0.53) RNASEL
SCHEMBL31310507 0.79 TAS1R3 (0.67) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL29331207 0.79 P2RY2 (0.49) TAS1R3TAS1R1RNASELTGM2NT5E

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
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
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