SCHEMBL4460412

SCHEMBL4460412

CC(C)(C)c1ccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
LMNA P02545 6/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
GAA P10253 2/20 0.51
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.44
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL4454981 0.86 MAPT (0.54) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4470211 0.86 LMNA (0.56) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4462751 0.85 MAPT (0.51) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4457912 0.85 LMNA (0.51) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4459176 0.84 LMNA (0.50) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4456454 0.84 MAPT (0.50) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4458673 0.83 MAPT (0.51) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4461924 0.83 MAPT (0.48) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4462761 0.82 MAPT (0.48) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL4461362 0.82 KMT2A (0.51) MAPTLMNAKDM4EALDH1A1NPSR1

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