SCHEMBL6608518

SCHEMBL6608518

NCc1ccc(CCS(N)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.67
CA2 P00918 7/20 0.56
CA1 P00915 4/20 0.56
CA9 Q16790 4/20 0.56
CA12 O43570 3/20 0.56
CA4 P22748 3/20 0.56
CA6 P23280 3/20 0.56
CA5A P35218 3/20 0.56
CA7 P43166 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA5B Q9Y2D0 3/20 0.56
MAPT P10636 1/20 0.54
PSIP1 O75475 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
ENPP1 P22413 1/20 0.41
ABAT P80404 1/20 0.41
F2 P00734 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
SCHEMBL24670084 0.87 CA2 (0.52) RECQLCA2CA1CA9CA12
SCHEMBL11166463 0.82 RECQL (0.96) RECQLCA2CA1CA9CA12
SCHEMBL5725397 0.80 RECQL (0.64) RECQLCA2CA1CA9CA12
SCHEMBL1044703 0.80 RECQL (0.64) RECQLCA2CA1CA9CA12
SCHEMBL4769306 0.80 RECQL (0.64) RECQLCA2CA1CA9CA12
SCHEMBL29046728 0.80 RECQL (0.64) RECQLCA2CA1CA9CA12
SCHEMBL8113789 0.80 RECQL (0.64) RECQLCA2CA1CA9CA12
SCHEMBL1644097 0.79 CA2 (0.70) RECQLCA2CA1CA9CA12
Hydrochloric Acid SCHEMBL3516882 0.77 CA2 (0.68) RECQLCA2CA1CA9CA12
SCHEMBL4063879 0.77 CA2 (0.68) RECQLCA2CA1CA9CA12

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-1368327-B1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-10-20 EP claimed