SCHEMBL889536

SCHEMBL889536

CC[C@H]1O[C@@H](n2cc(C)c(=O)n(Cc3ccccc3[N+](=O)[O-])c2=O)CC1O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL14788957 1.00 ACHE (0.38) ACHESIRT2SIRT1CA12CA9
SCHEMBL12570181 0.94 TK1 (0.40)
SCHEMBL889535 0.94 TK1 (0.40)
SCHEMBL12570183 0.87 TOP2A (0.41)
SCHEMBL12762673 0.87 TOP2A (0.41)
SCHEMBL14665890 0.85 P2RY2 (0.49)
SCHEMBL26233701 0.82 TK1 (0.43)
SCHEMBL26233704 0.82 CA12 (0.36) ACHECA12CA9
SCHEMBL26233706 0.78 RNASE1 (0.41) CA12CA9
SCHEMBL2056807 0.75 TK1 (0.44)

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-8361727-B2 3′OH-unblocked, nucleotides and nucleosides base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-01-29 US disclosed
US-20110287427-A1 3'OH-UNBLOCKED, NUCLEOTIDES AND NUCLEOSIDES BASE MODIFIED WITH LABELS AND PHOTOCLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2011-11-24 US disclosed