SCHEMBL2171082

SCHEMBL2171082

CS(=O)(=O)c1ccc(C#CI)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ENPP2 Q13822 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL2177479 0.80 ENPP2 (0.48) ENPP2PTGS2
SCHEMBL31238686 0.78 ENPP2 (0.46) ENPP2PTGS2
SCHEMBL7567240 0.78 CA12 (0.64) CA12CA1CA2CA9PTGS2
SCHEMBL5484562 0.75 APP (0.42) CA12CA1CA2CA9
SCHEMBL2376239 0.75 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL710011 0.75 LOX (0.46) ENPP2PTGS2
SCHEMBL3123896 0.75 ENPP2 (0.52) ENPP2PTGS2
SCHEMBL10452224 0.74 PTGS2 (0.46) ENPP2PTGS2
SCHEMBL2181909 0.74 ENPP2 (0.47) ENPP2
SCHEMBL803901 0.73 PTGS2 (0.68) CA12CA1CA2CA9ENPP2

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-2346807-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010055005-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed