SCHEMBL7283144

SCHEMBL7283144

CC(C)(C)c1cccc(S(N)(=O)=O)c1I

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.41
CA1 P00915 9/20 0.41
CA9 Q16790 5/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA4 P22748 2/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C9 P11712 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CDK2 P24941 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.36

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
SCHEMBL2069124 0.79 CA2 (0.52) CA2CA1CA9CA6CA5A
SCHEMBL7194865 0.78 CA2 (0.50) CA2CA1CA9CA6CA5A
SCHEMBL9662651 0.77 PTGES2 (0.41) CA2CA1CA9CA6CA5A
SCHEMBL3778712 0.77 CA2 (0.43) CA2CA1CA9CA6CA5A
SCHEMBL22560744 0.76 CA2 (0.55) CA2CA1CYP2C9ALDH1A1TSHR
SCHEMBL4177589 0.76 CA2 (0.44) CA2CA1CA9CA6CA5A
SCHEMBL1061830 0.76 CA2 (0.40) CA2CA1CA9CA6CA5A
SCHEMBL4812059 0.75 CA2 (0.47) CA2CA1CA9CA6CA5A
SCHEMBL18297706 0.72 PTGES2 (0.47) CA2CA1CA9CA6CA5A
SCHEMBL25251235 0.72 ALDH1A1 (0.39) CA2CA1CA9CA6CA5A

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-0516392-B1 Naphthyridine derivatives as angiotensin II inhibitors ASTRAZENECA AB (SE) 2001-08-29 EP disclosed
EP-0516392-A2 Naphthyridine derivatives as angiotensin II inhibitors ZENECA LIMITED (GB) 1992-12-02 EP disclosed