SCHEMBL4703333

SCHEMBL4703333

CCN(C(C)=O)[C@H]1CN(CCCOC)S(=O)(=O)c2sccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
CA4 P22748 2/20 0.42
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL18651237 0.91 CA2 (0.42) CA2CA4LMNACA12CA1
SCHEMBL3577810 0.80 CA2 (0.47) CA2CA4LMNACA12CA1
SCHEMBL3586845 0.80 CA2 (0.47) CA2CA4LMNACA12CA1
SCHEMBL3585070 0.80 CA2 (0.47) CA2CA4LMNACA12CA1
SCHEMBL4750255 0.79 CA2 (0.68) CA2CA4LMNACA12CA1
SCHEMBL18651229 0.78 CA2 (0.45) CA2CA4LMNACA12CA1
SCHEMBL23643738 0.77 CA2 (0.54) CA2CA4LMNACA12CA1
SCHEMBL3583041 0.77 CA2 (0.63) CA2CA4LMNACA12CA1
SCHEMBL3583044 0.77 CA2 (0.63) CA2CA4LMNACA12CA1
SCHEMBL18651243 0.74 CA2 (0.48) CA2CA4LMNACA12CA1

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-1985618-A1 Process for the preparation of brinzolamide and intermediates thereof Duke Chem, S. A. (ES) 2008-10-29 EP disclosed