SCHEMBL4975649

SCHEMBL4975649

O=C(O)CCC(=O)NC(=S)NO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 5/20 0.58
KDM2A Q9Y2K7 5/20 0.58
FOLH1 Q04609 5/20 0.58
KDM4E B2RXH2 4/20 0.58
KDM5C P41229 3/20 0.58
EGLN1 Q9GZT9 3/20 0.58
KDM6B O15054 1/20 0.58
LMNA P02545 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
KDM7A Q6ZMT4 1/20 0.40
ECE1 P42892 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A1 P04798 1/20 0.34

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
SCHEMBL4976282 0.88 PHF8 (0.52) PHF8KDM2AFOLH1KDM4EKDM5C
SCHEMBL4976329 0.87 SLC22A6 (0.46) PHF8KDM2AFOLH1KDM4EKDM5C
SCHEMBL4980094 0.76 PHF8 (0.64) PHF8KDM2AFOLH1KDM4EKDM5C
SCHEMBL240068 0.75
SCHEMBL4977573 0.74 SLC22A6 (0.52) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL4978244 0.74 PHF8 (0.52) PHF8KDM2AFOLH1KDM4EKDM5C
SCHEMBL4976213 0.73 PHF8 (0.58) PHF8KDM2AFOLH1KDM4EKDM5C
SCHEMBL4478714 0.72 ALDH1A1 (0.33) PHF8KDM2AFOLH1KDM4EKDM5C
SCHEMBL4977396 0.72 PHF8 (0.57) PHF8KDM2AFOLH1KDM4EKDM5C
SCHEMBL28461081 0.72 PHF8 (0.57) PHF8KDM2AFOLH1KDM4EKDM5C

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-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
EP-1685114-A2 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS S.A. (BR) 2006-08-02 EP claimed
WO-2005041853-A2 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS S.A. (BR) 2005-05-12 WO claimed