SCHEMBL11136641

SCHEMBL11136641

CCCCCCCCCCCCCCOC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)nc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.53
ADORA2B P29275 3/20 0.53
LMNA P02545 3/20 0.47
MTOR P42345 2/20 0.47
THRB P10828 1/20 0.47
MDM2 Q00987 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
DNMT1 P26358 1/20 0.47
THPO P40225 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
HBB P68871 1/20 0.47
PMP22 Q01453 1/20 0.47
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL11135240 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11132771 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11133009 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11135194 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11136442 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11135232 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11135817 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11138271 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11132742 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB
SCHEMBL11135253 1.00 ADORA2A (0.53) ADORA2AADORA2BLMNAMTORTHRB

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
EP-0044085-B1 NOVEL NUCLEOSIDE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-05-25 EP disclosed
EP-0044085-A1 Novel nucleoside derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-01-20 EP disclosed