SCHEMBL4692589

SCHEMBL4692589

NC(=O)[C@@H]1c2c(cnn2-c2ccccc2)[C@@H]2CN1C(=O)N2OS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
RIPK2 O43353 1/20 0.34
NPC1 O15118 1/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL4138435 1.00 SLC9A1 (0.37) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4138430 1.00 SLC9A1 (0.37) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4138433 0.88 SLC9A1 (0.38) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4151419 0.84 TSHR (0.36) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4151415 0.84 TSHR (0.36) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4151420 0.84 TSHR (0.36) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4142488 0.83 SLC9A1 (0.41) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4142485 0.83 SLC9A1 (0.41) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL4142493 0.83 SLC9A1 (0.41) SLC9A1SLC9A2KEAP1NFE2L2RIPK2
SCHEMBL5187351 0.82

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP claimed
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed