SCHEMBL9124151

SCHEMBL9124151

CC(=O)C(O)[C@@H]1C=C[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.36
ADORA1 P30542 4/20 0.36
AHCY P23526 5/20 0.36
ADORA2B P29275 4/20 0.36
ADORA2A P29274 3/20 0.36
HSP90B1 P14625 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HIF1A Q16665 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL5496885 0.83 ADORA2A (0.35) ADORA3ADORA1AHCYADORA2BADORA2A
SCHEMBL9052971 0.76 AHCY (0.49) ADORA3ADORA1AHCYADORA2BADORA2A
SCHEMBL2955999 0.75 BCHE (0.42) ADORA3AHCYADORA2BHSP90B1LMNA
SCHEMBL4833723 0.73 ADORA3 (0.37) ADORA3ADORA1AHCYADORA2BADORA2A
SCHEMBL13238881 0.73 EGFR (0.41) ADORA3ADORA1ADORA2BADORA2ALMNA
SCHEMBL1140703 0.73 EGFR (0.41) ADORA3ADORA1ADORA2BADORA2ALMNA
SCHEMBL2045673 0.73 EGFR (0.41) ADORA3ADORA1ADORA2BADORA2ALMNA
SCHEMBL5494931 0.72 AHCY (0.46) ADORA3ADORA1AHCYADORA2BADORA2A
SCHEMBL2950100 0.72 EGFR (0.40) ADORA3ADORA1ADORA2BADORA2ALMNA
SCHEMBL2950104 0.72 EGFR (0.40) ADORA3ADORA1ADORA2BADORA2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466793-A Catalytic reducing of a nucleoside with hydrogen in the presence of palladium and recovering AJINOMOTO CO., INC. (JP) 1995-11-14 US disclosed
US-5106962-A Reacting nucleosides with viologens in the presence of base AJINOMOTO CO., INC. (JP) 1992-04-21 US disclosed