SCHEMBL8049909

SCHEMBL8049909

N#Cc1cc(/C=C2\SC(=S)NC2=O)cc(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 2/20 0.66
NAT1 P18440 5/20 0.60
MYC P01106 1/20 0.60
MAX P61244 1/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
CISD1 Q9NZ45 3/20 0.56
PTGS2 P35354 1/20 0.56
DNM1 Q05193 1/20 0.55
PIK3CG P48736 1/20 0.52
GSK3B P49841 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CDC7 O00311 1/20 0.50

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
SCHEMBL8049913 1.00 PTP4A3 (0.66) PTP4A3NAT1MYCMAXMEN1
SCHEMBL9484459 0.79 PTP4A3 (0.47) PTP4A3NAT1MYCMAXMEN1
SCHEMBL8049366 0.76 PTGS1 (0.54) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL8049363 0.76 PTGS1 (0.54) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL15421927 0.76 PIK3CG (0.76) PTP4A3NAT1MYCMAXMEN1
SCHEMBL15421931 0.76 PIK3CG (0.76) PTP4A3NAT1MYCMAXMEN1
SCHEMBL15421930 0.76 PIK3CG (0.76) PTP4A3NAT1MYCMAXMEN1
SCHEMBL8038857 0.76 GSK3B (0.74) PTP4A3NAT1MYCMAXMEN1
SCHEMBL8038859 0.76 GSK3B (0.74) PTP4A3NAT1MYCMAXMEN1
SCHEMBL8310470 0.75 DNM1 (0.72) PTP4A3NAT1MYCMAXMEN1

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
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
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