SCHEMBL6200068

SCHEMBL6200068

O=C(O)c1c[c]c(O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.55
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
TPMT P51580 1/20 0.49
HCAR3 P49019 8/20 0.46
ALDH1A1 P00352 1/20 0.45
APEX1 P27695 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL8313374 0.82 CASP6 (0.51) CASP6TSHRLMNATPMTHCAR3
SCHEMBL7405401 0.80 VCAM1 (0.51) LMNATPMTALDH1A1CA1CA2
SCHEMBL6045077 0.79 GPR35 (0.52) TSHRLMNAALDH1A1CA1CA2
SCHEMBL11332607 0.77 GPR35 (0.46) TSHRLMNAALDH1A1GAAMAPT
SCHEMBL503443 0.76 CASP6 (0.62) CASP6TSHRLMNATPMTHCAR3
SCHEMBL4125346 0.76 GPR35 (0.57) TSHRALDH1A1MAPT
SCHEMBL15017183 0.76 TDP1 (0.41) TSHRALDH1A1MAPT
SCHEMBL7168471 0.76 ERN1 (0.46) TSHRALDH1A1MAPT
SCHEMBL8841185 0.72 CASP6 (0.62) CASP6TSHRLMNATPMTHCAR3
SCHEMBL10945219 0.72 CASP6 (0.62) CASP6TSHRLMNATPMTHCAR3

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 13 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
US-6011037-A Thiazole derivatives with phosphodiesterase-inhibiting action BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-01-04 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0920426-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-06-09 EP disclosed
WO-1998008841-A1 NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO disclosed
WO-1998008830-A1 THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-03-05 WO 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