SCHEMBL889545

SCHEMBL889545

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NCc4ccccc4[N+](=O)[O-])nc32)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
POLA1 P09884 1/20 0.40
SLC29A1 Q99808 3/20 0.34
TYMP P19971 1/20 0.34
PDE9A O76083 2/20 0.33
MET P08581 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
POLB P06746 1/20 0.32
P2RY1 P47900 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32

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
SCHEMBL14789011 1.00 KDM4E (0.42) KDM4EPOLA1SLC29A1TYMPPDE9A
SCHEMBL12570245 0.93 KDM4E (0.41) KDM4EPOLA1SLC29A1TYMPPDE9A
SCHEMBL12762708 0.93 KDM4E (0.41) KDM4EPOLA1SLC29A1TYMPPDE9A
SCHEMBL889594 0.84 SLC29A1 (0.49) SLC29A1
SCHEMBL12570243 0.81 POLA1 (0.56) KDM4EPOLA1SLC29A1
SCHEMBL889698 0.81 POLA1 (0.56) KDM4EPOLA1SLC29A1
SCHEMBL889618 0.80 SLC29A1 (0.41) SLC29A1P2RY1
SCHEMBL14789017 0.80 SLC29A1 (0.41) SLC29A1P2RY1
SCHEMBL14789009 0.79 KDM4E (0.53) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL889631 0.79 KDM4E (0.53) KDM4EPOLA1TAS1R3TAS1R1POLB

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