SCHEMBL6829231

SCHEMBL6829231

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MTOR P42345 2/20 0.55
ALDH1A1 P00352 2/20 0.55
THRB P10828 1/20 0.55
MDM2 Q00987 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
DNMT1 P26358 1/20 0.55
THPO P40225 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
HBB P68871 1/20 0.55
PMP22 Q01453 1/20 0.55
ADORA2A P29274 5/20 0.47
ADORA2B P29275 4/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL11331744 0.89 LMNA (0.55) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11331753 0.89 LMNA (0.55) LMNAMTORALDH1A1THRBMDM2
SCHEMBL6829079 0.89 LMNA (0.57) LMNAMTORALDH1A1THRBMDM2
SCHEMBL2580868 0.87 LMNA (0.58) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11315915 0.86 LMNA (0.52) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11315907 0.86 LMNA (0.52) LMNAMTORALDH1A1THRBMDM2
SCHEMBL1527265 0.83 LMNA (0.57) LMNAMTORALDH1A1THRBMDM2
SCHEMBL18954220 0.83 LMNA (0.59) LMNAMTORALDH1A1THRBMDM2
SCHEMBL18954217 0.83 LMNA (0.59) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11762806 0.83 LMNA (0.59) LMNAMTORALDH1A1THRBMDM2

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-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 US disclosed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 WO disclosed