SCHEMBL4978244

SCHEMBL4978244

NC(=S)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
KDM4E B2RXH2 4/20 0.52
KDM5C P41229 4/20 0.52
EGLN1 Q9GZT9 5/20 0.48
KDM6B O15054 2/20 0.48
FOLH1 Q04609 1/20 0.48
LMNA P02545 2/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.43
TAS2R38 P59533 1/20 0.42
CYP1A2 P05177 1/20 0.41
KDM7A Q6ZMT4 1/20 0.41
ALDH1A1 P00352 2/20 0.38
GABRR1 P24046 1/20 0.37
HTT P42858 1/20 0.36
CYP1A1 P04798 1/20 0.35
GNPAT O15228 1/20 0.35
SLC15A2 Q16348 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4979278 0.86 SLC22A6 (0.48) PHF8KDM2AKDM4EKDM5CLMNA
SCHEMBL4976282 0.80 PHF8 (0.52) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL4979808 0.80 PHF8 (0.56) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL28283982 0.80 TAS2R38 (0.46) PHF8KDM2AKDM4EKDM5CTAS2R38
SCHEMBL8293489 0.76
SCHEMBL4977758 0.76 PHF8 (0.52) PHF8KDM2AKDM4EKDM5CEGLN1
Succinic Acid SCHEMBL7667190 0.76 LMNA (0.64) PHF8KDM2AKDM4EKDM5CEGLN1
Glycine SCHEMBL16637330 0.75 PHF8 (0.56) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL4975649 0.74 PHF8 (0.58) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL4977396 0.74 PHF8 (0.57) PHF8KDM2AKDM4EKDM5CEGLN1

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