SCHEMBL4457029

SCHEMBL4457029

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD7 P0C870 1/20 0.68
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 8/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
HTT P42858 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HSP90AA1 P07900 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PDE10A Q9Y233 1/20 0.43
ALOX12 P18054 1/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.43
PKM P14618 3/20 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
SCHEMBL4455047 0.91 KMT2A (0.56) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4458598 0.88 KDM4E (0.53) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4457912 0.84 LMNA (0.51) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4461261 0.84 KDM4E (0.55) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4461917 0.82 ALDH1A1 (0.58) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4461811 0.82 MAPT (0.53) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4455073 0.81 PDE10A (0.51) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4456441 0.80 ALDH1A1 (0.54) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4457036 0.80 JMJD7 (0.55) JMJD7ALDH1A1KDM4EKMT2ALMNA
SCHEMBL4457026 0.80 JMJD7 (0.55) JMJD7ALDH1A1KDM4EKMT2ALMNA

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-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