SCHEMBL4976329

SCHEMBL4976329

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
FOLH1 Q04609 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL4977573 0.89 SLC22A6 (0.52) SLC22A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL4975649 0.87 PHF8 (0.58) ALDH1A1MAPTKDM4EFOLH1MEN1
SCHEMBL4978302 0.78 SLC22A6 (0.50) SLC22A6ALDH1A1KDM4EFOLH1KDM6B
SCHEMBL1261013 0.77 FOLH1 (0.70) SLC22A6KDM4EFOLH1KDM6BKDM5C
SCHEMBL4979278 0.77 SLC22A6 (0.48) SLC22A6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4979704 0.75 SLC22A6 (0.46) SLC22A6ALDH1A1KDM4EFOLH1KMT2A
SCHEMBL4976282 0.75 PHF8 (0.52) SLC22A6ALDH1A1MAPTKDM4EFOLH1
SCHEMBL4975915 0.75 SLC22A6 (0.58) SLC22A6ALDH1A1KDM4EFOLH1KMT2A
SCHEMBL2813242 0.72 HDAC1 (0.74) SLC22A6KDM4EFOLH1KDM6BKDM5C
SCHEMBL12967769 0.71 SLC22A6 (0.52) SLC22A6ALDH1A1KDM4EFOLH1KMT2A

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