SCHEMBL8444530

SCHEMBL8444530

COC(=O)c1cccc(-c2ccsc2S(N)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
ERN1 O75460 2/20 0.46
POLB P06746 1/20 0.45
ASH1L Q9NR48 1/20 0.45
HSD17B10 Q99714 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
AXL P30530 1/20 0.43
SDHB P21912 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
PTGS2 P35354 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
SCHEMBL7815828 0.81 HSD17B10 (0.48) CA12CA1CA2CA9ERN1
SCHEMBL8444035 0.80 ERN1 (0.56) CA12CA1CA2CA9ERN1
SCHEMBL8444332 0.80 CA12 (0.47) CA12CA1CA2CA9ERN1
SCHEMBL8804542 0.79 F10 (0.41) CA12CA1CA2CA9
SCHEMBL8439989 0.78 PKM (0.49) CA12CA1CA2CA9ERN1
SCHEMBL8444039 0.78 F10 (0.39) CA12CA1CA2CA9
SCHEMBL8804547 0.78 HTR2B (0.43)
SCHEMBL8444041 0.77 CA12 (0.37) CA12CA1CA2CA9
SCHEMBL16749656 0.76 CA12 (0.58) CA12CA1CA2CA9ERN1
SCHEMBL8442500 0.76 CA2 (0.64) CA12CA1CA2CA9ERN1

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
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed