SCHEMBL5300982

SCHEMBL5300982

NS(=O)(=O)c1ccccc1-c1cc(Cl)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
F10 P00742 8/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTGES2 Q9H7Z7 3/20 0.41
S100A4 P26447 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
LDHA P00338 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL1806672 0.79 CA1 (0.46) PTGS2CA1CA2PTGES2PSEN1
SCHEMBL1809065 0.76 PTGS2 (0.49) PTGS2CA1CA2PTGES2PSEN1
SCHEMBL8661275 0.74 PTGS2 (0.69) PTGS2PTGS1F10CA1CA2
SCHEMBL7584026 0.74 PTGS2 (0.50) PTGS2PTGS1F10CA1CA2
SCHEMBL28362934 0.74 PTGS2 (0.68) PTGS2PTGS1F10CA1CA2
SCHEMBL1080972 0.73 CA2 (0.61) CA1CA2LDHACDK2
SCHEMBL21507851 0.72 PTGDR2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1804258 0.71 CA2 (0.50) PTGS2CA1CA2PTGES2LDHA
SCHEMBL28076138 0.71 PTGES2 (0.39) F10CA1CA2PTGES2
SCHEMBL8660030 0.71 PTGES2 (0.48) PTGS2PTGS1F10CA1CA2

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
WO-2007014054-A2 BENZENESULFONAMIDE INHIBITOR OF CCR2 CHEMOKINE RECEPTOR GLAXO GROUP LIMTED (GB) 2007-02-01 WO disclosed