SCHEMBL889704

SCHEMBL889704

Nc1nc(OCc2ccc(I)cc2[N+](=O)[O-])c2ncn([C@H]3CC(O)[C@@H](CO)O3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
HBB P68871 1/20 0.52
PNP P00491 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SLC29A1 Q99808 3/20 0.44
ADRB1 P08588 1/20 0.44
DNMT1 P26358 1/20 0.44
HIF1A Q16665 1/20 0.40

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
SCHEMBL12570249 1.00 CYP1A2 (0.52) CYP1A2HBBPNPLMNATP53
SCHEMBL14175889 0.91 CYP1A2 (0.54) CYP1A2HBBPNPLMNATP53
SCHEMBL889702 0.89 CYP1A2 (0.55) CYP1A2HBBPNPLMNATP53
SCHEMBL12570248 0.89 CYP1A2 (0.55) CYP1A2HBBPNPLMNATP53
SCHEMBL14665915 0.84 CYP1A2 (0.46) CYP1A2HBBPNPLMNATP53
SCHEMBL889633 0.82 CYP1A2 (0.36) CYP1A2HBBSLC29A1
SCHEMBL14789022 0.82 CYP1A2 (0.36) CYP1A2HBBSLC29A1
SCHEMBL889578 0.82 CYP1A2 (0.46) CYP1A2HBBPNPLMNATP53
SCHEMBL12570251 0.82 CYP1A2 (0.46) CYP1A2HBBPNPLMNATP53
SCHEMBL12762711 0.81 CYP1A2 (0.36) CYP1A2HBBSLC29A1

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 5 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-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