SCHEMBL8546709

SCHEMBL8546709

CN1C(=O)c2ccc(CBr)cc2S1(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 13/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 12/20 0.37
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
RAB9A P51151 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA1 P00915 2/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.87 CA9 (0.53) CA9CA2CA12ABCC9ABCC8
SCHEMBL17097221 0.78 CA9 (0.58) CA9CA2CA12ABCC9ABCC8
SCHEMBL2616815 0.76 CA9 (0.59) CA9CA2CA12ABCC9ABCC8
SCHEMBL13534186 0.75 CA9 (0.58) CA9CA2CA12ABCC9ABCC8
SCHEMBL8731341 0.70 ALDH1A1 (0.50) KMT2A
SCHEMBL30872997 0.70 ACE2 (0.60) CA9CA2CA12RAB9AACE2
SCHEMBL107126 0.70 CA9 (1.00) CA9CA2CA12
SCHEMBL30339085 0.70 CA9 (1.00) CA9CA2CA12
SCHEMBL20172048 0.68 CA9 (0.62) CA9CA2CA12ABCC9ABCC8
SCHEMBL22226932 0.68 CA9 (0.58) CA9CA2CA12ABCC9ABCC8

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 4 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
EP-0752990-A1 BENZISOTHIAZOLES DERIVATIVES AS INHIBITORS OF 5-LIPOXYGENASE BIOSYNTHESIS PFIZER INC. (US) 1997-01-15 EP disclosed
WO-1995026346-A1 BENZISOTHIAZOLES DERIVATIVES AS INHIBITORS OF 5-LIPOXYGENASE BIOSYNTHESIS PFIZER INC. (US) 1995-10-05 WO disclosed