SCHEMBL4460079

SCHEMBL4460079

O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
NR4A2 P43354 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 3/20 0.45
MAOB P27338 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAOA P21397 1/20 0.44
ATM Q13315 1/20 0.44
PTPN1 P18031 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HSP90AA1 P07900 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
SCHEMBL4460158 0.88 KDM4E (0.53) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4465729 0.87 MAPT (0.52) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4466851 0.86 MAPT (0.51) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4457290 0.85 KMT2A (0.52) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4470211 0.85 LMNA (0.56) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4460077 0.84 NR4A2 (0.56) NR4A2MAOBSRD5A2MRGPRX4
SCHEMBL4457852 0.83 MAPT (0.52) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4465375 0.82 ALDH1A1 (0.53) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4458856 0.82 KDM4E (0.52) MAPTKDM4EL3MBTL1NPSR1LMNA
SCHEMBL4461261 0.81 KDM4E (0.55) MAPTKDM4EL3MBTL1NPSR1LMNA

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