SCHEMBL4468901

SCHEMBL4468901

COCc1ccc(O)c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
HTT P42858 6/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 4/20 1.00
ALOX12 P18054 2/20 1.00
NPSR1 Q6W5P4 1/20 1.00
L3MBTL1 Q9Y468 8/20 0.69
BRD4 O60885 1/20 0.69
MITF O75030 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 2/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 3/20 0.68
TP53 P04637 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
PAX8 Q06710 1/20 0.59

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
SCHEMBL30345672 0.84 KDM4E (0.79) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL14768490 0.84 KDM4E (0.79) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL13415788 0.84 KDM4E (0.72) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL17799263 0.83 KDM4E (0.71) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL14114855 0.83 KDM4E (0.71) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL28862876 0.83 KDM4E (0.77) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL28976997 0.83 KDM4E (0.77) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL23714117 0.82 KDM4E (0.69) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL114710 0.81 KDM4E (0.74) KDM4EHTTNPC1RAB9AALOX12
SCHEMBL9177673 0.81 KDM4E (0.79) KDM4EHTTNPC1RAB9AALOX12

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 15 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
US-20080207673-A1 Method for Treating Cancer, Coronary, Inflammatory and Macular Disease, Combining the Modulation of Zinc-and/or Copper Dependent Proteins XILINAS MICHEL 2008-08-28 US claimed
EP-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP claimed
WO-2006117660-A2 METHOD FOR TREATING CANCER, CORONARY, INFLAMMATORY AND MACULAR DISEASE, COMBINING THE MODULATION OF ZINC- AND/OR COPPER DEPENDENT PROTEINS CLIO PHARMACEUTICAL CORPORATION (US) 2006-11-09 WO claimed
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US claimed
EP-1189606-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2002-03-27 EP claimed
WO-2000074664-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 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
US-20080207673-A1 Method for Treating Cancer, Coronary, Inflammatory and Macular Disease, Combining the Modulation of Zinc-and/or Copper Dependent Proteins XILINAS MICHEL 2008-08-28 US disclosed
EP-1189606-B1 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RES & DEV (IL) 2007-08-15 EP disclosed
WO-2006117660-A2 METHOD FOR TREATING CANCER, CORONARY, INFLAMMATORY AND MACULAR DISEASE, COMBINING THE MODULATION OF ZINC- AND/OR COPPER DEPENDENT PROTEINS CLIO PHARMACEUTICAL CORPORATION (US) 2006-11-09 WO disclosed
US-6855711-B1 Pharmaceutical compositions comprising iron chelators for the treatment of neurodegenerative disorders and some novel iron chelators YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-02-15 US disclosed
WO-2002051415-A2 USE OF SEQUESTRANTS FOR TREATING PRION DISEASES XILINAS MICHEL (CY) 2002-07-04 WO disclosed
EP-1189606-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2002-03-27 EP disclosed
WO-2000074664-A2 NOVEL IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING IRON CHELATORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2000-12-14 WO disclosed