SCHEMBL9115320

SCHEMBL9115320

CCN1CCN=C1c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
GALR3 O60755 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 1/20 0.40
PGR P06401 1/20 0.40
F10 P00742 1/20 0.37
LMNA P02545 1/20 0.37

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 SCHEMBL11546910 0.85 MAPT (0.49) MAPTMEN1KMT2ATDP1POLB
Hydrochloric Acid SCHEMBL11550657 0.82 MAPT (0.54) MAPTMEN1KMT2ATDP1POLB
SCHEMBL9113715 0.81 TOP2A (0.57) MEN1KMT2ATDP1TOP2ATOP2B
Iodide SCHEMBL11546914 0.78 MAPT (0.49) MAPTMEN1KMT2ATDP1POLB
SCHEMBL29409289 0.71 MAPT (1.00) MAPTMEN1KMT2ATDP1POLB
SCHEMBL737722 0.71 MAPT (1.00) MAPTMEN1KMT2ATDP1POLB
SCHEMBL18985916 0.69 MAPT (0.58) MAPTMEN1KMT2ATDP1POLB
SCHEMBL28920609 0.69 MAPT (0.50) MAPTMEN1KMT2ATDP1POLB
SCHEMBL17476786 0.68 MAPT (0.53) MAPTMEN1KMT2ATDP1POLB
SCHEMBL10771288 0.68 MAPT (0.49) MAPTMEN1KMT2ATDP1POLB

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