SCHEMBL4977758

SCHEMBL4977758

N=C(N)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
KDM7A Q6ZMT4 1/20 0.41
GABRR1 P24046 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 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
SLC13A3 Q8WWT9 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
SCHEMBL3072568 0.90 KDM4E (0.36) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL2510241 0.86 SLC22A6 (0.48) PHF8KDM2AKDM4EKDM5CLMNA
SCHEMBL4979808 0.80 PHF8 (0.56) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL4977586 0.80 PHF8 (0.52) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL3074990 0.80 HDAC3 (0.42) ITGB3ITGA2BALDH1A1
SCHEMBL3068330 0.80 HDAC3 (0.36) KDM4EALDH1A1
SCHEMBL3071534 0.78 HDAC3 (0.46) ALDH1A1MAPK1
SCHEMBL3058782 0.78 KDM4E (0.32) PHF8KDM2AKDM4EKDM5C
SCHEMBL3062386 0.78 HDAC3 (0.46) ALDH1A1MAPK1
Succinic Acid SCHEMBL30862138 0.77 KDM4E (0.59) 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 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