SCHEMBL8050465

SCHEMBL8050465

O=C1NC(=S)N/C1=C/c1cc(O)c(O)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
CTSB P07858 1/20 0.50
ELANE P08246 1/20 0.50
TOP1 P11387 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 5/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.48
IDH1 O75874 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ALPG P10696 1/20 0.44
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
GPR18 Q14330 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CBS P35520 1/20 0.41

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
SCHEMBL8038648 1.00 PTGS1 (0.58) PTGS1PTGS2CTSBELANETOP1
SCHEMBL8049366 0.79 PTGS1 (0.54) PTGS1PTGS2CTSBELANETOP1
SCHEMBL8049363 0.79 PTGS1 (0.54) PTGS1PTGS2CTSBELANETOP1
SCHEMBL8038584 0.78 MAPT (0.62) PTGS1PTGS2CTSBELANETOP1
SCHEMBL8038582 0.78 MAPT (0.62) PTGS1PTGS2CTSBELANETOP1
SCHEMBL15421687 0.78 PTGS1 (0.63) PTGS1PTGS2CTSBELANETOP1
SCHEMBL15421688 0.78 PTGS1 (0.63) PTGS1PTGS2CTSBELANETOP1
SCHEMBL15421689 0.78 PTGS1 (0.63) PTGS1PTGS2CTSBELANETOP1
SCHEMBL15421567 0.77 MEN1 (0.61) PTGS1PTGS2CTSBELANEMEN1
SCHEMBL15421565 0.77 MEN1 (0.61) PTGS1PTGS2CTSBELANEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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