SCHEMBL11329271

SCHEMBL11329271

Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1CCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA3 P0DMS8 6/20 0.55
ADORA2B P29275 5/20 0.55
ADORA1 P30542 5/20 0.55
LMNA P02545 2/20 0.54
MTOR P42345 2/20 0.54
THRB P10828 1/20 0.54
MDM2 Q00987 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
NFKB1 P19838 1/20 0.51
DNMT1 P26358 1/20 0.51
THPO P40225 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51
HBB P68871 1/20 0.51

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
SCHEMBL11317980 1.00 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL11317987 1.00 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL11313276 0.94 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL11313270 0.94 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL11315837 0.94 ADORA3 (0.56) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL2578281 0.89 LMNA (0.57) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL11316762 0.88 LMNA (0.56) LMNAMTORTHRBMDM2NCOA1
SCHEMBL11325017 0.88 LMNA (0.56) LMNAMTORTHRBMDM2NCOA1
SCHEMBL11316774 0.88 LMNA (0.56) LMNAMTORTHRBMDM2NCOA1
SCHEMBL11665906 0.86 LMNA (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4267171-A C-5 Substituted cytosine nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-05-12 US disclosed