SCHEMBL6201626

SCHEMBL6201626

COc1ccc(-c2nc(-c3ccc(NC(C)=O)c([N+](=O)[O-])c3)cs2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPK1 P28482 2/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ABCB1 P08183 3/20 0.50
EIF4E P06730 4/20 0.49
ABCC1 P33527 2/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL6197689 0.87 MEN1 (0.67) KMT2AMEN1ALDH1A1MAPK1ALOX15
SCHEMBL6195925 0.83 MEN1 (0.65) KMT2AMEN1ALDH1A1MAPK1ALOX15
SCHEMBL6199409 0.82 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPK1ALOX15
SCHEMBL6199744 0.81 EIF4E (0.55) KMT2AMEN1ALDH1A1MAPK1EIF4E
SCHEMBL6198667 0.77 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1MAPK1ALOX15
SCHEMBL6198481 0.76 KMO (0.64) KMT2AMEN1ALDH1A1EIF4EMAPT
SCHEMBL14306164 0.76 EIF4E (0.49) KMT2AMEN1ALDH1A1MAPK1EIF4E
SCHEMBL18029531 0.75 MEN1 (1.00) KMT2AMEN1ALDH1A1MAPK1ALOX15
SCHEMBL14306166 0.74 EIF4E (0.54) KMT2AMEN1ALDH1A1EIF4EMAPT
SCHEMBL2282371 0.73 MAPT (0.68) KMT2AABCB1ABCC1MAPTRAB9A

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