SCHEMBL2552403

SCHEMBL2552403

O=[N+]([O-])c1nccn1CCF

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
CYP2C19 P33261 1/20 0.49
TYMP P19971 3/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
OPRK1 P41145 1/20 0.45
EGFR P00533 8/20 0.37
NOS1 P29475 1/20 0.35

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
SCHEMBL11390072 0.89 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL8431954 0.86 CA12 (0.61) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL12004636 0.84 CA12 (0.60) CA12CA1CA2CA9LMNA
SCHEMBL4360078 0.83 CA12 (0.58) CA12CA1CA2CA9LMNA
SCHEMBL11111165 0.82 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL920293 0.82 LMNA (0.60) CA12CA1CA2CA9LMNA
SCHEMBL11108846 0.82 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL13942803 0.82 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL4357511 0.81 CA12 (0.57) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL31250585 0.81 CA12 (0.57) CA12CA1CA2CA9LMNA

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-20130096123-A1 RADIATION SENSITISER COMPOSITIONS EUPHARMA PTY LTD (AU) 2013-04-18 US disclosed
EP-2558090-A1 RADIATION SENSITISER COMPOSITIONS Eupharma Pty Ltd (AU) 2013-02-20 EP disclosed
CN-102933213-A Radiation sensitiser compositions EUPHARMA PTY LTD 2013-02-13 CN disclosed
WO-2011127537-A1 RADIATION SENSITISER COMPOSITIONS PHEBRA PTY LTD (AU) 2011-10-20 WO disclosed