SCHEMBL8677423

SCHEMBL8677423

c1cc(-c2nc3cc(C4=NCCN4)ccc3[nH]2)nc(-c2nc3cc(C4=NCCN4)ccc3[nH]2)c1.c1cc(-c2nc3cc(C4=NCCN4)ccc3[nH]2)nc(-c2nc3cc(C4=NCCN4)ccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.50
PRMT1 Q99873 1/20 0.47
MAOB P27338 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
SCHEMBL548343 1.00 NISCH (0.50) NISCHPRMT1MAOB
SCHEMBL548420 0.92 NISCH (0.46) NISCHPRMT1
SCHEMBL8477890 0.89 NPC1 (0.58) NISCHPRMT1
SCHEMBL13204584 0.85 NISCH (0.54) NISCHPRMT1
SCHEMBL548359 0.84 NISCH (0.52) NISCHPRMT1
SCHEMBL548421 0.82 GAA (0.50) NISCHPRMT1
SCHEMBL8164925 0.82 GAA (0.50) NISCHPRMT1
SCHEMBL8475087 0.82 NPC1 (0.55) NISCH
SCHEMBL549218 0.82 TOP2A (0.56) NISCHPRMT1
SCHEMBL14599548 0.81 PRMT1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831832-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP disclosed