SCHEMBL9113676

SCHEMBL9113676

CC(C)(c1nc2cc(C3=NCCN3)ccc2[nH]1)c1nc2cc(C3=NCCN3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.52
HTR1D P28221 1/20 0.50
ADRA1A P35348 1/20 0.50
PRMT1 Q99873 2/20 0.49

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
SCHEMBL9029049 0.88 NISCH (0.55) NISCHHTR1DADRA1APRMT1
SCHEMBL9112606 0.80 NISCH (0.51) NISCHHTR1DADRA1APRMT1
SCHEMBL9029139 0.79 NISCH (0.54) NISCHPRMT1
SCHEMBL13204584 0.79 NISCH (0.54) NISCHPRMT1
SCHEMBL548359 0.78 NISCH (0.52) NISCHPRMT1
SCHEMBL9029931 0.77 NISCH (0.51) NISCHPRMT1
SCHEMBL548343 0.76 NISCH (0.50) NISCHPRMT1
SCHEMBL8677423 0.76 NISCH (0.50) NISCHPRMT1
SCHEMBL549218 0.76 TOP2A (0.56) NISCHPRMT1
SCHEMBL14599548 0.75 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
WO-1995008540-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-30 WO disclosed