SCHEMBL889546

SCHEMBL889546

CC(=O)Nc1nc(OC(C)c2ccc(I)cc2[N+](=O)[O-])c2ncn([C@H]3CC(O)[C@@H](CO)O3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.42
CYP1A2 P05177 1/20 0.42
HBB P68871 1/20 0.42
PNP P00491 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HIF1A Q16665 1/20 0.38
POLA1 P09884 1/20 0.37

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
SCHEMBL12570254 1.00 SLC29A1 (0.42) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL14175894 0.93 SLC29A1 (0.42) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL12570252 0.90 SLC29A1 (0.44) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL889705 0.90 SLC29A1 (0.44) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL14666012 0.87 SLC29A1 (0.42) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL14789029 0.86 SLC29A1 (0.34) SLC29A1
SCHEMBL889582 0.86 SLC29A1 (0.34) SLC29A1
SCHEMBL12762713 0.85 SLC29A1 (0.33) SLC29A1
SCHEMBL12570255 0.85 SLC29A1 (0.33) SLC29A1
SCHEMBL12762714 0.85 SLC29A1 (0.37) SLC29A1CYP1A2HBBPNPLMNA

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 4 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
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 US disclosed
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 US disclosed