SCHEMBL4458673

SCHEMBL4458673

CC(C)Oc1ccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.51
KDM4E B2RXH2 7/20 0.51
LMNA P02545 7/20 0.49
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.43
PDE10A Q9Y233 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX12 P18054 2/20 0.41
CCR6 P51684 1/20 0.41
METAP2 P50579 2/20 0.40
METAP1 P53582 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4457852 0.90 MAPT (0.52) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4456454 0.86 MAPT (0.50) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4461924 0.85 MAPT (0.48) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4454981 0.85 MAPT (0.54) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4461362 0.84 KMT2A (0.51) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4462761 0.84 MAPT (0.48) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4470211 0.84 LMNA (0.56) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4462751 0.84 MAPT (0.51) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4457912 0.84 LMNA (0.51) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL4460412 0.83 MAPT (0.51) MAPTKDM4ELMNAALDH1A1L3MBTL1

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