SCHEMBL6826877

SCHEMBL6826877

COC(CC1CC1)[C@H]1O[C@@H](n2cnc3c(N)nc(C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.49
DNMT3B Q9UBC3 1/20 0.49
ADORA2A P29274 6/20 0.48
ADORA2B P29275 5/20 0.48
EHMT2 Q96KQ7 2/20 0.48
EHMT1 Q9H9B1 1/20 0.48
ADORA3 P0DMS8 4/20 0.48
RNASEL Q05823 2/20 0.47
ADORA1 P30542 1/20 0.46

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
SCHEMBL25619503 0.83 DNMT1 (0.56) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL25619482 0.83 DNMT1 (0.56) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL6829244 0.82 DNMT1 (0.48) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL2461485 0.76 DNMT1 (0.63) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL8622533 0.76 ADORA3 (0.78) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL29936666 0.76 ADORA3 (0.78) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL28073065 0.75 RNASEL (0.51) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL20009824 0.75 DNMT1 (0.51) DNMT1DNMT3BADORA2AADORA2BADORA3
SCHEMBL13769821 0.75 ADORA3 (0.76) DNMT1DNMT3BADORA2AADORA2BADORA3
2-Methyladenosine SCHEMBL14075776 0.74 LMNA (0.75) ADORA2AADORA2BADORA3ADORA1

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-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US claimed