SCHEMBL6201701

SCHEMBL6201701

CCCCCCN(C)C(=O)S

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.48
EPHX2 P34913 6/20 0.46
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
GGPS1 O95749 3/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL15976371 0.91
SCHEMBL20625249 0.81 EPHX2 (0.62) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL29407141 0.81 EPHX2 (0.62) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL11046710 0.81 EPHX2 (0.62) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL11634642 0.81 EPHX2 (0.62) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL6949703 0.79 DNM1 (0.50) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL5932156 0.79 CA12 (0.50) DNM1CES2CES1MAPTKMT2A
SCHEMBL5395582 0.79 EPHX2 (0.51) DNM1EPHX2KMT2A
SCHEMBL3440790 0.79 DNM1 (0.50) DNM1EPHX2S1PR2S1PR1S1PR3
SCHEMBL2180094 0.79 DNM1 (0.50) DNM1EPHX2S1PR2S1PR1S1PR3

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