SCHEMBL16667341

SCHEMBL16667341

O=P(O)(O)CNS(=O)(=O)c1cc2cc(OCC[n+]3ccccc3)c(OCCCl)cc2s1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32

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
SCHEMBL16667378 1.00 ACHE (0.32) ACHE
SCHEMBL16667343 0.93 ACHE (0.31) ACHE
SCHEMBL16667380 0.93 ACHE (0.31) ACHE
SCHEMBL14931214 0.89 INPPL1 (0.30)
SCHEMBL3480166 0.85 INPPL1 (0.30)
SCHEMBL3480334 0.84
SCHEMBL3480350 0.83
SCHEMBL3480336 0.83
SCHEMBL16667185 0.82 CHRNA7 (0.37) ACHE
SCHEMBL13031904 0.82 TRPV4 (0.33)

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-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP claimed