SCHEMBL4005482

SCHEMBL4005482

NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(Br)c1.O=S(=O)(Cl)c1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 17/20 0.62
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
WDR5 P61964 1/20 0.53

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
SCHEMBL3772475 0.93 PTGES2 (0.70) PTGES2CA1CA2CA9
SCHEMBL3775536 0.78 PTGES2 (0.64) PTGES2WDR5
SCHEMBL3783869 0.78 CA1 (0.74) PTGES2CA1CA2CA9
SCHEMBL27944569 0.77 CA1 (0.78) PTGES2CA1CA2CA9
SCHEMBL9266314 0.77 PTGES2 (0.70) PTGES2CA1CA2CA9
SCHEMBL3788588 0.77 PTGES2 (1.00) PTGES2
SCHEMBL2740995 0.76 TSHR (0.63) PTGES2WDR5
SCHEMBL3776974 0.76 PTGES2 (0.71) PTGES2WDR5
SCHEMBL7594368 0.76 WDR5 (0.60) PTGES2WDR5
SCHEMBL101963 0.75 ALDH1A1 (0.52) CA1CA2CA9WDR5

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-2234993-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed