SCHEMBL6201135

SCHEMBL6201135

CC(=O)Oc1c([N+](=O)[O-])c[c]cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
TLR9 Q9NR96 2/20 0.33
GPR35 Q9HC97 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
AGTR1 P30556 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11563856 0.78 KMT2A (0.52) TPMTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL4009304 0.76 ALDH1A1 (0.44) TPMTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL20138635 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2APOLBMAPT
SCHEMBL7373681 0.72 ALDH1A1 (0.48) TPMTMAPTALDH1A1TDP1L3MBTL1
SCHEMBL16962732 0.71 GAA (0.39) POLBLMNAMAPTALDH1A1MAPK1
SCHEMBL10510066 0.71 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL3605999 0.70 CYP1A2 (0.46) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL21291911 0.70 PARP1 (0.41) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL7390984 0.70 TSHR (0.44) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL27542157 0.70 TDP1 (0.54) SMN1; SMN2MEN1KMT2ANPC1GPR35

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