SCHEMBL4977586

SCHEMBL4977586

N=C(NC(=O)CCC(=O)O)NC(=O)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 6/20 0.52
KDM2A Q9Y2K7 6/20 0.52
EGLN1 Q9GZT9 5/20 0.52
KDM4E B2RXH2 4/20 0.52
KDM5C P41229 4/20 0.52
KDM6B O15054 2/20 0.52
FOLH1 Q04609 1/20 0.52
LMNA P02545 3/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
KDM7A Q6ZMT4 1/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP1A1 P04798 1/20 0.38
SLC15A2 Q16348 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC13A3 Q8WWT9 1/20 0.38
OR51E2 Q9H255 1/20 0.38
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4976213 0.88 PHF8 (0.58) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL4980899 0.85 SLC22A6 (0.52) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL4977758 0.80 PHF8 (0.52) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL4977396 0.78 PHF8 (0.57) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL28461081 0.78 PHF8 (0.57) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL3058782 0.77 KDM4E (0.32) PHF8KDM2AKDM4EKDM5C
SCHEMBL4979704 0.75 SLC22A6 (0.46) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL12967673 0.74 PHF8 (0.52) PHF8KDM2AEGLN1KDM4EKDM5C
Glycine SCHEMBL16637330 0.74 PHF8 (0.56) PHF8KDM2AEGLN1KDM4EKDM5C
SCHEMBL4976282 0.74 PHF8 (0.52) PHF8KDM2AEGLN1KDM4EKDM5C

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
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP claimed