SCHEMBL5594566

SCHEMBL5594566

Oc1ccc(CN2CCCN(Cc3ccc(O)c4ncccc34)CC2)c2cccnc12

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.89
MAPT P10636 8/20 0.89
L3MBTL1 Q9Y468 6/20 0.89
NFKB1 P19838 4/20 0.89
NFKB2 Q00653 4/20 0.89
RELA Q04206 4/20 0.89
LMNA P02545 4/20 0.89
GAA P10253 4/20 0.89
ALOX12 P18054 4/20 0.89
TP53 P04637 3/20 0.89
ALDH1A1 P00352 3/20 0.89
BRD4 O60885 2/20 0.89
USP2 O75604 1/20 0.78
ALOX15 P16050 1/20 0.78
KMT2A Q03164 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
MPI P34949 2/20 0.66
SMN1; SMN2 Q16637 5/20 0.65
HTT P42858 4/20 0.65
NPSR1 Q6W5P4 3/20 0.65

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
SCHEMBL30626619 0.95 KDM4E (0.97) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL24716091 0.95 KDM4E (0.97) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL2518179 0.95 KDM4E (0.86) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL5594386 0.94 KDM4E (1.00) KDM4EMAPTL3MBTL1NFKB1NFKB2
Hydrochloric Acid SCHEMBL5594620 0.94 KDM4E (0.83) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL5594730 0.92 MAPT (0.76) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL5594728 0.92 KDM4E (0.76) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL5595451 0.89 KDM4E (0.75) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL13310328 0.89 KDM4E (0.75) KDM4EMAPTL3MBTL1NFKB1NFKB2
SCHEMBL5595007 0.89 KDM4E (0.78) KDM4EMAPTL3MBTL1NFKB1NFKB2

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 3 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
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