SCHEMBL13204584

SCHEMBL13204584

c1cc(-c2nc3cc(-c4nc5cc(C6=NCCN6)ccc5[nH]4)ccc3[nH]2)ccc1C1=NCCN1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.54
PRMT1 Q99873 3/20 0.50
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45

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
SCHEMBL14599548 0.89 PRMT1 (0.49) NISCHPRMT1
SCHEMBL20184770 0.89 PRMT1 (0.53) NISCHPRMT1LMNARECQL
SCHEMBL14599545 0.88 NISCH (0.48) NISCHPRMT1
SCHEMBL548359 0.87 NISCH (0.52) NISCHPRMT1
SCHEMBL20982698 0.85 PRMT1 (0.56) NISCHPRMT1RECQL
SCHEMBL8409651 0.85 NISCH (0.64) NISCHPRMT1
SCHEMBL548343 0.85 NISCH (0.50) NISCHPRMT1
SCHEMBL549218 0.85 TOP2A (0.56) NISCHPRMT1TOP2ATOP2B
SCHEMBL8677423 0.85 NISCH (0.50) NISCHPRMT1
SCHEMBL23775778 0.83 PRMT1 (0.44) NISCHPRMT1

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-7781183-B2 Inhibition of anthrax lethal factor protease THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-08-24 US disclosed
US-7781183-B2 Inhibition of anthrax lethal factor protease THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-08-24 US disclosed