SCHEMBL2311228

SCHEMBL2311228

NS(=O)(=O)c1cccc(-c2cc(S(N)(=O)=O)ccc2-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.53
BCR P11274 2/20 0.53
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
PTGES2 Q9H7Z7 2/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
LRRK2 Q5S007 2/20 0.43
BRD4 O60885 1/20 0.41

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
SCHEMBL2311184 0.80 LRRK2 (0.56) PTGS2PTGS1CA2CA1CA12
SCHEMBL2304522 0.77 KIF11 (0.46) CA2CA1PTGES2CA12CA9
SCHEMBL18118195 0.77 PTGS2 (0.68) ABL1BCRPTGS2PTGS1CA2
SCHEMBL28078710 0.77 IKBKB (0.51) ABL1BCRCA2CA1PTGES2
SCHEMBL6622402 0.76 PTGS2 (0.44) ABL1BCRPTGS2PTGS1CA2
SCHEMBL8075337 0.76 CA2 (0.55) ABL1BCRCA2CA1PTGES2
SCHEMBL30434205 0.75 CA2 (0.64) PTGS2PTGS1CA2CA1CA12
SCHEMBL1137645 0.75 PTGS2 (0.65) ABL1BCRPTGS2PTGS1CA2
SCHEMBL2311233 0.75 CA2 (0.62) ABL1BCRCA2CA1
SCHEMBL1069088 0.74 CA12 (0.49) PTGS2PTGS1CA2CA1SLC6A4

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-2349990-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE Pimco 2664 Limited (GB) 2011-08-03 EP disclosed