SCHEMBL889541

SCHEMBL889541

CC[C@H]1O[C@@H](n2cc(COC(C)c3ccccc3[N+](=O)[O-])c(N)nc2=O)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.32
DNMT1 P26358 4/20 0.31
DNMT3B Q9UBC3 1/20 0.30

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
SCHEMBL12570234 0.93 CASR (0.31) CASRDNMT1
SCHEMBL888067 0.93 CASR (0.31) CASRDNMT1
SCHEMBL14788998 0.93 CASR (0.31) CASRDNMT1
SCHEMBL14680042 0.93 DNMT1 (0.31) DNMT1
SCHEMBL16728029 0.93 DNMT1 (0.31) DNMT1
SCHEMBL14680063 0.92 DNMT1 (0.31) DNMT1DNMT3B
SCHEMBL16728043 0.92 DNMT1 (0.31) DNMT1DNMT3B
SCHEMBL14789000 0.89 CASR (0.31) CASR
SCHEMBL14664311 0.89 CASR (0.31) CASR
SCHEMBL14947957 0.88 DNMT1 (0.32) DNMT1DNMT3B

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