SCHEMBL728065

SCHEMBL728065

CC(=O)SCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
PRNP P04156 5/20 0.47
RXFP1 Q9HBX9 5/20 0.47
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 4/20 0.45
MAPK10 P53779 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
PSMB5 P28074 1/20 0.44
MGAM O43451 1/20 0.43
HPGD P15428 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL5016773 0.85 CYP1A2 (0.53) CYP1A2PRNPRXFP1KDM4ENPSR1
SCHEMBL15457400 0.83 CYP1A2 (0.46) CYP1A2PRNPRXFP1KDM4EGPBAR1
SCHEMBL6397516 0.79 PDE10A (0.53) CYP1A2RXFP1KDM4ENPSR1ALDH1A1
SCHEMBL11189914 0.78 PSMB5 (0.51) CYP1A2PRNPRXFP1KDM4ENPSR1
SCHEMBL4623799 0.77 CYP1A2 (0.68) CYP1A2KDM4ENPSR1ALDH1A1MEN1
SCHEMBL23844622 0.77 CYP1A2 (0.52) CYP1A2PRNPRXFP1KDM4EGPBAR1
SCHEMBL14355158 0.77 LMNA (0.53) CYP1A2KDM4EALDH1A1MEN1KMT2A
SCHEMBL10704703 0.76 CYP1A2 (0.43) CYP1A2PRNPRXFP1KDM4EGPBAR1
SCHEMBL2877991 0.76 CYSLTR1 (0.52) CYP1A2PRNPRXFP1KDM4EPSMB5
SCHEMBL27727433 0.76 CYP1A2 (0.57) CYP1A2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790797-B2 2011-10-12 JP claimed
US-20090098663-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-16 US claimed
US-20090042032-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-02-12 US claimed
JP-2008540726-A 2008-11-20 JP claimed
EP-1883819-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME Agency for Science, Technology and Research (SG) 2008-02-06 EP claimed
EP-1883820-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME Agency for Science, Technology and Research (SG) 2008-02-06 EP claimed
WO-2006118543-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-09 WO claimed
WO-2006118542-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-09 WO claimed
CN-101955774-A Nanocrystalline painted plant AGENCY SCIENCE TECH & RES 2011-01-26 CN disclosed
US-20090098663-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-16 US disclosed
US-20090042032-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-02-12 US disclosed
EP-1883819-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME Agency for Science, Technology and Research (SG) 2008-02-06 EP disclosed
EP-1883820-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME Agency for Science, Technology and Research (SG) 2008-02-06 EP disclosed
WO-2006118543-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A LOW MOLECULAR WEIGHT COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-09 WO disclosed
WO-2006118542-A1 NOVEL WATER-SOLUBLE NANOCRYSTALS COMPRISING A POLYMERIC COATING REAGENT, AND METHODS OF PREPARING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-11-09 WO disclosed