SCHEMBL8545293

SCHEMBL8545293

CC(C)(C)N1C(=O)c2cc(CBr)ccc2S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
CA9 Q16790 15/20 0.34
CA12 O43570 14/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
CA1 P00915 5/20 0.32
CA2 P00918 3/20 0.32

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
SCHEMBL8547101 0.80 CA9 (0.53) KMT2ATDP1CA9CA12L3MBTL1
SCHEMBL16126846 0.80 CA9 (0.37) KMT2APTGDR2CA9CA12L3MBTL1
SCHEMBL8550846 0.78 CA9 (0.38) KMT2APTGDR2CA9CA12L3MBTL1
SCHEMBL8550940 0.73 CA9 (0.59) KMT2ATDP1CA9CA12CA1
SCHEMBL1369709 0.71 PTGDR2 (0.42) KMT2ATDP1PTGDR2CA9CA12
SCHEMBL17191865 0.70 PTGDR2 (0.38) PTGDR2CA9CA12L3MBTL1ABCC9
SCHEMBL8546709 0.68 CA9 (0.53) KMT2ATDP1CA9CA12ABCC9
SCHEMBL7335719 0.68 PTGDR2 (0.44) PTGDR2CA9CA12CA1CA2
SCHEMBL7337341 0.64 PTGDR2 (0.44) KMT2APTGDR2CA9CA12L3MBTL1
SCHEMBL8731341 0.64 ALDH1A1 (0.50) KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752990-B1 BENZISOTHIAZOLES DERIVATIVES AS INHIBITORS OF 5-LIPOXYGENASE BIOSYNTHESIS PFIZER (US) 1998-08-05 EP disclosed
US-5665749-A Benzisothiazoles derivatives as inhibitors of 5-lipoxygenase biosynthesis PFIZER INC. (US) 1997-09-09 US disclosed
US-5160363-A For sugarbeets E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-03 US disclosed
EP-0422031-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-17 EP disclosed
WO-1989010921-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 WO disclosed