SCHEMBL18947550

SCHEMBL18947550

C=C[C@]1(CO)O[C@@H](n2cnc3c(O)ccnc32)[C@@H](CF)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.33
▸ ADORA2B P29275 4/20 0.33
▸ SLC29A1 Q99808 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ AHCY P23526 2/20 0.31

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
SCHEMBL18947541 0.89 AHCY (0.43) ADORA2AADORA2BSLC29A1AHCY
SCHEMBL18947535 0.85 ADORA2A (0.35) ADORA2AADORA2BSLC29A1LMNATP53
SCHEMBL12170662 0.84 SLC29A1 (0.38) ADORA2AADORA2BSLC29A1LMNATP53
SCHEMBL15203668 0.84 SLC29A1 (0.38) ADORA2AADORA2BSLC29A1LMNATP53
SCHEMBL12170660 0.82 AHCY (0.49) ADORA2AADORA2BSLC29A1AHCY
SCHEMBL18948229 0.82 AHCY (0.49) ADORA2AADORA2BSLC29A1AHCY
SCHEMBL3654238 0.80 CYP2C19 (0.38) ADORA2AADORA2BSLC29A1LMNAAHCY
SCHEMBL3654243 0.80 CYP2C19 (0.38) ADORA2AADORA2BSLC29A1LMNAAHCY
SCHEMBL18947547 0.80 ADORA3 (0.31) ADORA2AADORA2BLMNATP53
SCHEMBL18947559 0.80 ADORA2A (0.33) ADORA2AADORA2BAHCY

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-9676808-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2017-06-13 — — US disclosed
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