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Sugi Predict / Compounds / SCHEMBL24181933

SCHEMBL24181933

SCHEMBL24181933

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@@H]2C[C@@H](F)[C@H](n3cnc4c(N)ncnc43)O2)[C@H]1F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 7/20 0.55
▸ NT5E P21589 1/20 0.55
▸ P2RY1 P47900 2/20 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
SCHEMBL22080502 0.89 RNASEL (0.57) RNASELNT5EP2RY1
SCHEMBL21132977 0.86 RNASEL (0.68) RNASEL
SCHEMBL22571183 0.85 RNASEL (0.60) RNASEL
SCHEMBL23476718 0.83 NT5E (0.55) RNASELNT5EP2RY1
SCHEMBL22080515 0.83 RNASEL (0.56) RNASEL
SCHEMBL24196705 0.83 FUT5 (0.49) RNASEL
SCHEMBL21133330 0.83 RNASEL (0.65) RNASELP2RY1
SCHEMBL22352061 0.82 RNASEL (0.58) RNASELNT5EP2RY1
SCHEMBL22571185 0.82 P2RY1 (0.57) NT5EP2RY1
SCHEMBL21417366 0.81 P2RY1 (0.66) RNASELNT5EP2RY1

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-3936514-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2022-01-12 — — EP disclosed
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