SCHEMBL9114564

SCHEMBL9114564

Nc1ccc(C2=NCCCN2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 1/20 0.48
NISCH Q9Y2I1 3/20 0.47
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
TOP2A P11388 4/20 0.44
TOP2B Q02880 4/20 0.44
GALR3 O60755 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
USP2 O75604 1/20 0.43
BLM P54132 1/20 0.43
UBE2N P61088 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Iodide SCHEMBL11553348 0.95 MAPT (0.53) MAPTTDP1MEN1POLBKMT2A
SCHEMBL9114376 0.92 MAPT (0.58) MAPTTDP1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL11553310 0.90 MAPT (0.57) MAPTTDP1MEN1POLBKMT2A
SCHEMBL9827708 0.80 NISCH (0.58) MAPTMEN1POLBKMT2ANISCH
SCHEMBL9114689 0.79 NISCH (0.57) TDP1MEN1KMT2ANISCHTSHR
SCHEMBL3858563 0.78 NISCH (0.55) MAPTNISCHTSHRGAA
SCHEMBL9023749 0.76 MAPT (0.53) MAPTTDP1MEN1POLBKMT2A
SCHEMBL9043095 0.75 NISCH (0.58) TDP1MEN1KMT2ANISCHTSHR
SCHEMBL1144144 0.75 L3MBTL1 (0.53) MAPTMEN1POLBKMT2ANISCH
Hydrochloric Acid SCHEMBL3973011 0.74 MAPT (0.92) MAPTTDP1MEN1POLBKMT2A

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