SCHEMBL4468720

SCHEMBL4468720

O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.48
MAPT P10636 8/20 0.48
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 4/20 0.48
GAA P10253 2/20 0.48
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.41
CA12 O43570 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
SCHEMBL4458856 0.91 KDM4E (0.52) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4470211 0.90 LMNA (0.56) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4459176 0.88 LMNA (0.50) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4461924 0.86 MAPT (0.48) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4454981 0.85 MAPT (0.54) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4467701 0.85 ALDH1A1 (0.48) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4462751 0.84 MAPT (0.51) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4457912 0.84 LMNA (0.51) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4460412 0.82 MAPT (0.51) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4456454 0.81 MAPT (0.50) LMNAMAPTKDM4EL3MBTL1ALDH1A1

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 disclosed