SCHEMBL4470211

SCHEMBL4470211

O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.56
METAP2 P50579 2/20 0.56
METAP1 P53582 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPT P10636 10/20 0.53
KDM4E B2RXH2 7/20 0.53
L3MBTL1 Q9Y468 6/20 0.53
NPSR1 Q6W5P4 4/20 0.53
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 6/20 0.51
GAA P10253 2/20 0.51
PDE10A Q9Y233 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL4459176 0.93 LMNA (0.50) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4461924 0.91 MAPT (0.48) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4454981 0.90 MAPT (0.54) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4468720 0.90 LMNA (0.48) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4462751 0.89 MAPT (0.51) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4457912 0.89 LMNA (0.51) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4460158 0.88 KDM4E (0.53) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4458856 0.87 KDM4E (0.52) LMNAMETAP2METAP1HDAC6MAPT
SCHEMBL4461917 0.86 ALDH1A1 (0.58) LMNAMAPTKDM4EL3MBTL1NPSR1
SCHEMBL4461261 0.86 KDM4E (0.55) LMNAMETAP2METAP1HDAC6MAPT

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 2 patents. 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
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