SCHEMBL13639444

SCHEMBL13639444

N#Cc1ccc(N)c(NS(=O)(=O)CCc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 17/20 0.76
S100A9 P06702 2/20 0.40
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL3785151 0.86 PTGES2 (1.00) PTGES2
SCHEMBL3771867 0.84 PTGES2 (1.00) PTGES2
SCHEMBL13768257 0.84 PTGES2 (0.59) PTGES2S100A9
SCHEMBL13639450 0.72 PTGES2 (0.52) PTGES2SLC22A12
SCHEMBL13061971 0.71 PTGES2 (0.80) PTGES2
SCHEMBL3786218 0.70 PTGES2 (1.00) PTGES2
SCHEMBL3778116 0.70 PTGES2 (1.00) PTGES2
SCHEMBL13012078 0.68 PTGES2 (1.00) PTGES2
SCHEMBL3783279 0.68 PTGES2 (1.00) PTGES2
SCHEMBL3782877 0.67 PTGES2 (1.00) PTGES2

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-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed