SCHEMBL6201090

SCHEMBL6201090

COC(=O)c1c[c]ccc1OC(=S)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CFTR P13569 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL4294652 0.80 KDM4E (0.43) SLC6A3ALDH1A1LMNAHTTRAB9A
SCHEMBL7759388 0.79 SLC6A3 (0.59) SLC6A3L3MBTL1ALDH1A1LMNAHTT
SCHEMBL2443988 0.78 GAA (0.45) ALDH1A1LMNAHTTKMT2AKDM4E
SCHEMBL6195395 0.78 SLC6A3 (0.40) SLC6A3ALDH1A1LMNAHTTKMT2A
SCHEMBL9217561 0.77 KDM4E (0.49) ALDH1A1LMNAHTTRAB9AKMT2A
SCHEMBL13159057 0.75 CYP46A1 (0.43) SLC6A3ALDH1A1HTTRAB9AKMT2A
SCHEMBL2471899 0.75 HSD17B10 (0.52) L3MBTL1ALDH1A1HTTKMT2AHSD17B10
SCHEMBL2963304 0.74 FFAR4 (0.46) SLC6A3L3MBTL1ALDH1A1LMNAHTT
SCHEMBL20803212 0.74 HSD17B10 (0.37) SLC6A3L3MBTL1ALDH1A1LMNAHTT
SCHEMBL2471344 0.74 NR4A2 (0.43) SLC6A3L3MBTL1ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed