SCHEMBL18947560

SCHEMBL18947560

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 6/20 0.44
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ DNMT1 P26358 1/20 0.38
▸ DNMT3B Q9UBC3 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ADORA3 P0DMS8 1/20 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
▸ DPP4 P27487 1/20 0.32
▸ EZH2 Q15910 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
SCHEMBL15203979 0.86 AHCY (0.53) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL15203898 0.83 AHCY (0.41) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL15203899 0.83 AHCY (0.41) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL15203982 0.83 CYP2C19 (0.36) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL15203983 0.83 CYP2C19 (0.36) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL18947555 0.80 AHCY (0.44) AHCYADORA2AADORA2BDNMT1DNMT3B
SCHEMBL15203965 0.74 LMNA (0.45) SLC29A1LMNATSHR
SCHEMBL15203966 0.74 LMNA (0.45) SLC29A1LMNATSHR
SCHEMBL13523527 0.74 AHCY (0.59) AHCYADORA2AADORA2BALDH1A1HIF1A
SCHEMBL29548998 0.74 AHCY (0.59) AHCYADORA2AADORA2BALDH1A1HIF1A

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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