SCHEMBL8464926

SCHEMBL8464926

O=Ic1ccc(O)cc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PTGS1 P23219 1/20 0.42
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
GFER P55789 1/20 0.39
EGFR P00533 1/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
DNMT1 P26358 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NSD2 O96028 2/20 0.37
MMP14 P50281 2/20 0.37
CASP6 P55212 2/20 0.37
ESR1 P03372 1/20 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
SCHEMBL8464469 0.82 ALDH1A1 (0.41) LMNAHPGDHSD17B10POLBTDP1
SCHEMBL8463349 0.80 GAA (0.40) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL8460572 0.80 ALDH1A1 (0.37) HPGDGAAPOLBMCL1L3MBTL1
SCHEMBL8460490 0.80 PARP1 (0.33) LMNAHPGDHIF1AHSD17B10PKM
SCHEMBL8464312 0.80 CA12 (0.35) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL5664509 0.78 LMNA (0.53) LMNAHPGDHIF1AHSD17B10PTGS1
Sulfamide SCHEMBL8460578 0.77 ALDH1A1 (0.46) LMNAHPGDHIF1AHSD17B10GAA
SCHEMBL8464923 0.76 PTPN1 (0.41) LMNAHPGDHSD17B10GAAMCL1
SCHEMBL8460910 0.76 MEN1 (0.38) HPGDHSD17B10MCL1L3MBTL1ALDH1A1
SCHEMBL8461162 0.76 L3MBTL1 (0.42) GAAL3MBTL1PKMMPLTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745326-B1 Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1999-09-22 EP disclosed
US-5594017-A WITH AN IODOSYL OR IODYL COMPOUND ROHM AND HAAS COMPANY (US) 1997-01-14 US disclosed
EP-0745326-A1 Stabilization of aqueous 3-isothiazolone solutions ROHM AND HAAS COMPANY (US) 1996-12-04 EP disclosed