SCHEMBL13639443

SCHEMBL13639443

Nc1cccc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)c1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 19/20 0.82
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63

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
SCHEMBL13639414 0.91 PTGES2 (0.85) PTGES2CA1CA2CA9
SCHEMBL3788588 0.90 PTGES2 (1.00) PTGES2
SCHEMBL3786572 0.84 PTGES2 (1.00) PTGES2
SCHEMBL13639461 0.84 PTGES2 (0.82) PTGES2
SCHEMBL3773690 0.83 PTGES2 (1.00) PTGES2
SCHEMBL3785954 0.82 PTGES2 (1.00) PTGES2
SCHEMBL3769814 0.82 PTGES2 (1.00) PTGES2
SCHEMBL3771656 0.82 PTGES2 (1.00) PTGES2
SCHEMBL3779352 0.82 PTGES2 (1.00) PTGES2
SCHEMBL3780880 0.82 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 2 patents. 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
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed