SCHEMBL8442500

SCHEMBL8442500

COC(=O)c1cccc(-c2csc(S(N)(=O)=O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.64
CA12 O43570 5/20 0.64
CA1 P00915 5/20 0.64
CA9 Q16790 5/20 0.64
ERN1 O75460 3/20 0.49
POLB P06746 1/20 0.45
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
PLAU P00749 2/20 0.44
LOX P28300 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CDK8 P49336 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL13742952 0.79 CA12 (0.81) CA2CA12CA1CA9ERN1
SCHEMBL13571522 0.79 CA1 (0.60) CA2CA12CA1CA9ERN1
SCHEMBL8803061 0.79 CA2 (0.45) CA2CA12CA1CA9
SCHEMBL19475240 0.78 CA2 (0.67) CA2CA12CA1CA9CA14
SCHEMBL8442895 0.78 CA2 (0.42) CA2CA12CA1CA9
SCHEMBL8803066 0.78 CA2 (0.47) CA2CA12CA1CA9
SCHEMBL8442877 0.78 CA12 (0.51) CA2CA12CA1CA9ERN1
SCHEMBL67941 0.78 CA12 (0.68) CA2CA12CA1CA9ERN1
SCHEMBL8444530 0.76 CA12 (0.60) CA2CA12CA1CA9ERN1
SCHEMBL27715902 0.76 CA12 (0.71) CA2CA12CA1CA9ERN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed