SCHEMBL5595070

SCHEMBL5595070

Oc1ccc(Cn2ccnc2)c2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 1.00
KDM4E B2RXH2 4/20 1.00
L3MBTL1 Q9Y468 4/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 2/20 1.00
POLB P06746 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
GAA P10253 2/20 0.60
NPC1 O15118 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
ALOX12 P18054 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55

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
SCHEMBL29908918 0.76 POLB (0.81) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL30159468 0.76 KDM4E (1.00) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL9177673 0.76 KDM4E (0.79) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL31237495 0.76 KDM4E (0.79) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL1782934 0.76 KDM4E (1.00) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL5594617 0.76 KDM4E (0.63) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL2518179 0.76 KDM4E (0.86) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL12766173 0.75 BRD4 (0.67) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL1317977 0.75 KDM4E (0.77) BRD4KDM4EL3MBTL1LMNAMAPT
SCHEMBL27906143 0.75 KDM4E (0.96) BRD4KDM4EL3MBTL1LMNAMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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
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