SCHEMBL4458670

SCHEMBL4458670

CC(C)Oc1ccc(C(=O)O)cc1.O=[N+]([O-])c1ccc2cccnc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
CTSB P07858 2/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
RCE1 Q9Y256 5/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
P4HB P07237 1/20 0.44
HSP90AA1 P07900 3/20 0.44

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
SCHEMBL4457850 0.90 KMT2A (0.48) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL4456449 0.86 POLB (0.50) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL4461928 0.86 FEN1 (0.55) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL4461920 0.86 FEN1 (0.55) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL4462759 0.84 PLA2G4B (0.46) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL4462764 0.84 PLA2G4B (0.46) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL4461356 0.84 PLA2G4B (0.51) MAPTKDM4EALDH1A1TP53HSP90AA1
Benzoic Acid SCHEMBL4470207 0.84 ALDH1A1 (0.54) MAPTKDM4EKMT2AALDH1A1MEN1
Benzoic Acid SCHEMBL4470216 0.84 ALDH1A1 (0.54) MAPTKDM4EKMT2AALDH1A1MEN1
4-Nitrobenzoic Acid SCHEMBL4454979 0.83 KDR (0.54) MAPTKDM4EKMT2AALDH1A1MEN1

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