SCHEMBL4457912

SCHEMBL4457912

O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.51
KDM4E B2RXH2 6/20 0.51
L3MBTL1 Q9Y468 6/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
GAA P10253 3/20 0.51
JMJD7 P0C870 1/20 0.47
PDE10A Q9Y233 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALOX12 P18054 2/20 0.46
RAB9A P51151 2/20 0.46
CCR6 P51684 1/20 0.46
MTOR P42345 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46
HSP90AA1 P07900 2/20 0.46

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
SCHEMBL4454981 0.89 MAPT (0.54) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4470211 0.89 LMNA (0.56) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4462751 0.88 MAPT (0.51) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4461811 0.88 MAPT (0.53) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4461261 0.88 KDM4E (0.55) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4459176 0.87 LMNA (0.50) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4461924 0.85 MAPT (0.48) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4460412 0.85 MAPT (0.51) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4468720 0.84 LMNA (0.48) LMNAKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL4457029 0.84 JMJD7 (0.68) LMNAKDM4EL3MBTL1MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO claimed
WO-2009140215-A2 METHOD FOR TREATING DRUG-RESISTANT BACTERIAL AND OTHER INFECTIONS WITH CLIOQUINOL, PHANQUINONE, AND RELATED COMPOUNDS GERAGHTY, ERIN (US) 2009-11-19 WO disclosed