SCHEMBL8049588

SCHEMBL8049588

O=C1NC(=O)C(=Cc2cc(O)c(O)c([N+](=O)[O-])c2)S1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.74
CISD1 Q9NZ45 2/20 0.57
NAT1 P18440 1/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
COMT P21964 1/20 0.56
IGF1R P08069 2/20 0.54
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
TDP2 O95551 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
XDH P47989 2/20 0.52
AKR1B1 P15121 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PIK3CA P42336 1/20 0.49

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
SCHEMBL8049587 1.00 GSK3B (0.74) GSK3BCISD1NAT1MAOAMAOB
SCHEMBL8051034 0.87 TDP1 (0.59) GSK3BCOMTTDP2XDHTDP1
SCHEMBL8051036 0.87 TDP1 (0.59) GSK3BCOMTTDP2XDHTDP1
SCHEMBL8038859 0.87 GSK3B (0.74) GSK3BCISD1NAT1COMTPTGS2
SCHEMBL8038857 0.87 GSK3B (0.74) GSK3BCISD1NAT1COMTPTGS2
SCHEMBL9015992 0.87 XDH (0.63) GSK3BCOMTXDHHPGD
SCHEMBL9015993 0.87 XDH (0.63) GSK3BCOMTXDHHPGD
SCHEMBL9831869 0.85 GSK3B (1.00) GSK3BCISD1IGF1RTDP2CASP7
SCHEMBL4852830 0.85 GSK3B (0.81) GSK3BCISD1IGF1RTDP2CASP7
SCHEMBL9831864 0.85 GSK3B (1.00) GSK3BCISD1IGF1RTDP2CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614541-A MEDICINAL ANTIOXIDANTS, REDUCING CELL DAMAGE CAUSED BY OXYGEN DERIVED RADICALS Orion-yhtym a Oy (FI) 1997-03-25 US claimed
EP-0526598-B1 NEW PHARMACOLOGICALLY ACTIVE CATECHOL DERIVATIVES ORION YHTYMAE OY (FI) 1996-12-18 EP claimed
EP-0526598-A1 NEW PHARMACOLOGICALLY ACTIVE CATECHOL DERIVATIVES. ORION YHTYMAE OY (FI) 1993-02-10 EP claimed
WO-1991017151-A1 NEW PHARMACOLOGICALLY ACTIVE CATECHOL DERIVATIVES Orion-Yhtymä Oy (FI) 1991-11-14 WO claimed
US-6121303-A SUCH AS 4-((3,4-DIHYDROXY-5-NITROPHENYL)METHYLIDENE)-2,5-IMIDAZOLIDINDIONE; MEDICINAL ANTIOXIDANTS FOR TREATMENT OR PREVENTION OF TISSUE DAMAGE CAUSED BY LIPID PEROXIDATION ORION-YHTYMA OY (FI) 2000-09-19 US disclosed
US-5889037-A PREVENTION, THERAPY TISSUE DAMAGE FROM LIPID PEROXIDATION ORION-YHTYMA OY (FI) 1999-03-30 US disclosed
US-5614541-A MEDICINAL ANTIOXIDANTS, REDUCING CELL DAMAGE CAUSED BY OXYGEN DERIVED RADICALS Orion-yhtym a Oy (FI) 1997-03-25 US disclosed
EP-0526598-B1 NEW PHARMACOLOGICALLY ACTIVE CATECHOL DERIVATIVES ORION YHTYMAE OY (FI) 1996-12-18 EP disclosed
US-5362733-A Lipid peroxidation prevention ORION-YHTYMA OY (FI) 1994-11-08 US disclosed
EP-0526598-A1 NEW PHARMACOLOGICALLY ACTIVE CATECHOL DERIVATIVES. ORION YHTYMAE OY (FI) 1993-02-10 EP disclosed
WO-1991017151-A1 NEW PHARMACOLOGICALLY ACTIVE CATECHOL DERIVATIVES Orion-Yhtymä Oy (FI) 1991-11-14 WO disclosed