SCHEMBL4465729

SCHEMBL4465729

CCOc1cccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
KDM4E B2RXH2 7/20 0.52
LMNA P02545 6/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSP90AA1 P07900 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PDE10A Q9Y233 1/20 0.43
ALOX5 P09917 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
SCHEMBL4466851 0.92 MAPT (0.51) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4457290 0.91 KMT2A (0.52) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4456454 0.89 MAPT (0.50) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4457852 0.88 MAPT (0.52) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4460079 0.87 MAPT (0.49) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4460158 0.87 KDM4E (0.53) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4470651 0.85 KDM4E (0.55) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4461261 0.83 KDM4E (0.55) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4461320 0.83 MAPT (0.56) MAPTKDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL4470211 0.83 LMNA (0.56) MAPTKDM4ELMNAL3MBTL1ALDH1A1

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