SCHEMBL8028100

SCHEMBL8028100

CCCN(C)C(=O)N(C)C(=O)c1c(Cl)cc(OC)c(O)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 2/20 0.34
BLM P54132 2/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 1/20 0.34
G6PD P11413 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CDC25C P30307 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL8044817 0.89 ALDH1A1 (0.35) L3MBTL1MAPTALDH1A1HTTTDP1
SCHEMBL8041268 0.86 COMT (0.40) L3MBTL1MAPTALDH1A1CDK2COMT
SCHEMBL8040090 0.85 GAA (0.42) L3MBTL1MAPTALDH1A1HTTKDM4E
SCHEMBL8028096 0.83 TDP1 (0.35) L3MBTL1MAPTALDH1A1HTTTDP1
SCHEMBL8041625 0.83 EGFR (0.35) L3MBTL1MAPTALDH1A1HTTTDP1
SCHEMBL8038161 0.83 ERN1 (0.38) L3MBTL1MAPTALDH1A1HTTTDP1
SCHEMBL8041629 0.82 TDP1 (0.34) L3MBTL1MAPTALDH1A1TDP1KDM4E
SCHEMBL8040095 0.81 ERN1 (0.37) L3MBTL1MAPTALDH1A1HTTTDP1
SCHEMBL8035153 0.80 TRPV1 (0.41) TRPV1
SCHEMBL8025556 0.77 NPSR1 (0.42) L3MBTL1MAPTALDH1A1HTTTDP1

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-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed