SCHEMBL18947535

SCHEMBL18947535

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.35
▸ ADORA2B P29275 4/20 0.35
▸ 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 1/20 0.32

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
SCHEMBL18947550 0.85 ADORA2A (0.33) ADORA2AADORA2BSLC29A1LMNATP53
SCHEMBL15203665 0.84 PI4KA (0.40) ADORA2AADORA2BSLC29A1LMNATP53
SCHEMBL12170637 0.84 PI4KA (0.40) ADORA2AADORA2BSLC29A1LMNATP53
SCHEMBL18947539 0.83 ADORA2A (0.36) ADORA2AADORA2BAHCY
SCHEMBL18947538 0.82 ADORA2A (0.38) ADORA2AADORA2BAHCY
SCHEMBL18947540 0.81 ADORA2A (0.35) ADORA2AADORA2BAHCY
SCHEMBL15203726 0.81 ADORA3 (0.51) ADORA2AADORA2BSLC29A1AHCY
SCHEMBL18947532 0.80 ADORA3 (0.32) ADORA2AADORA2BLMNATP53
SCHEMBL12170640 0.79 CYP2C19 (0.41) ADORA2BSLC29A1
SCHEMBL15204034 0.79 CYP2C19 (0.41) ADORA2BSLC29A1

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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