SCHEMBL4977573

SCHEMBL4977573

O=C(O)CCCC(=O)NC(=S)NC(=O)CCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.52
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL4976329 0.89 SLC22A6 (0.46) SLC22A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL4976282 0.85 PHF8 (0.52) SLC22A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL4979278 0.82 SLC22A6 (0.48) SLC22A6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4975915 0.80 SLC22A6 (0.58) SLC22A6ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL12967662 0.76 SLC22A6 (0.52) SLC22A6ALDH1A1MEN1KMT2ALMNA
SCHEMBL4980899 0.76 SLC22A6 (0.52) SLC22A6ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL12967769 0.76 SLC22A6 (0.52) SLC22A6ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL4975748 0.76 SLC22A6 (0.52) SLC22A6ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4978302 0.74 SLC22A6 (0.50) SLC22A6ALDH1A1KDM4ELMNATSHR
SCHEMBL23051809 0.73 TSHR (0.60) SLC22A6ALDH1A1MEN1KMT2ALMNA

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