SCHEMBL4455047

SCHEMBL4455047

O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
JMJD7 P0C870 1/20 0.56
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALOX12 P18054 2/20 0.49
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL4457029 0.91 JMJD7 (0.68) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4458598 0.87 KDM4E (0.53) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4454981 0.82 MAPT (0.54) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL4461917 0.81 ALDH1A1 (0.58) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4461811 0.81 MAPT (0.53) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4455049 0.80 ALDH1A1 (0.53) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4455044 0.80 ALDH1A1 (0.53) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4455073 0.80 PDE10A (0.51) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4457912 0.79 LMNA (0.51) KMT2AMAPTMEN1JMJD7RAB9A
SCHEMBL4456441 0.79 ALDH1A1 (0.54) KMT2AMAPTMEN1JMJD7RAB9A

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