SCHEMBL8550846

SCHEMBL8550846

Cc1ccc2c(c1)C(=O)N(C(C)(C)C)S2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL16126846 0.82 CA9 (0.37) CA9CA12CA1MEN1KMT2A
SCHEMBL8545293 0.78 KMT2A (0.37) CA9CA12CA1KMT2AL3MBTL1
SCHEMBL8550940 0.77 CA9 (0.59) CA9CA12CA1KMT2ACA2
SCHEMBL2616776 0.77 CA9 (0.59) CA9CA12CA1MEN1KMT2A
SCHEMBL17191865 0.75 PTGDR2 (0.38) CA9CA12CA1RAB9AL3MBTL1
SCHEMBL7335719 0.72 PTGDR2 (0.44) CA9CA12CA1NPC1RAB9A
SCHEMBL1369709 0.72 PTGDR2 (0.42) CA9CA12CA1KMT2ANPC1
SCHEMBL19834280 0.72 L3MBTL1 (0.50) CA9CA12CA1MEN1KMT2A
SCHEMBL19834248 0.69 L3MBTL1 (0.53) CA9CA12CA1MEN1KMT2A
SCHEMBL19834249 0.69 L3MBTL1 (0.60) MEN1KMT2ANPC1RAB9AALDH1A1

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 2 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