SCHEMBL8552433

SCHEMBL8552433

CNS(=O)(=O)c1ccc(C)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CSNK2A1 P68400 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
ACLY P53396 1/20 0.44
MEP1B Q16820 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL8548517 0.86 ALDH1A1 (0.49) METAP2ALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL8550845 0.83 ALDH1A1 (0.49) METAP2ALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL15001075 0.83 CYP1A2 (0.47) ALDH1A1HSD17B10CA1CA2MMP1
SCHEMBL3521898 0.81 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CA1CA2
SCHEMBL12302140 0.80 CSNK2A1 (0.55) METAP2ALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL6056827 0.80 CSNK2A1 (0.55) METAP2ALDH1A1HPGDHSD17B10CSNK2A1
SCHEMBL17342883 0.77 GAA (0.48) ALDH1A1HPGDMEP1BGAASMN1; SMN2
SCHEMBL4433906 0.77 CA1 (0.70) ALDH1A1HPGDHSD17B10CA1CA2
SCHEMBL14934294 0.76 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10MEP1BGAA
SCHEMBL7763277 0.75 CYP1A2 (0.40) METAP2ALDH1A1HPGDHSD17B10CA1

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