SCHEMBL19861728

SCHEMBL19861728

CC(=O)OC[C@@]1(CF)O[C@@H](n2ccc(=O)[nH]c2=O)C(N=[N+]=[N-])[C@@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 9/20 0.41
▸ P2RY4 P51582 4/20 0.41
▸ P2RY6 Q15077 8/20 0.40
▸ TDP1 Q9NUW8 1/20 0.36
▸ P2RY14 Q15391 1/20 0.34
▸ SLC28A1 O00337 1/20 0.33
▸ SLC28A2 O43868 1/20 0.33
▸ SLC29A1 Q99808 1/20 0.33
▸ SLC28A3 Q9HAS3 1/20 0.33

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
SCHEMBL17860656 1.00 P2RY2 (0.41) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL15074422 0.85 TDP1 (0.39) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL17860915 0.84 TDP1 (0.39) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL17863929 0.84 TDP1 (0.39) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL19861727 0.84 TDP1 (0.39) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL17860666 0.84 TDP1 (0.39) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL19861807 0.84 TDP1 (0.39) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL16373867 0.78 SLC28A1 (0.41) P2RY2P2RY4P2RY6TDP1P2RY14
SCHEMBL17860641 0.78 P2RY2 (0.47) P2RY2P2RY4P2RY6P2RY14SLC28A1
SCHEMBL19861729 0.78 P2RY2 (0.47) P2RY2P2RY4P2RY6P2RY14SLC28A1

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
US-9890188-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-02-13 — — US disclosed
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