SCHEMBL728064

SCHEMBL728064

COC(=S)Cc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYSLTR1 Q9Y271 3/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11641036 0.80 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL3533290 0.80 CYP1A2 (0.62) CYP1A2CYSLTR1MEN1KMT2ANPC1
SCHEMBL7759112 0.79 CYP1A2 (0.56) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL11639836 0.77 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL9480225 0.77 CYP1A2 (0.62) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
Hydrochloric Acid SCHEMBL3498851 0.76 CYP1A2 (0.53) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL4623799 0.74 CYP1A2 (0.68) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL11683114 0.73 CYP1A2 (0.54) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL1163526 0.73 CYP1A2 (0.57) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A
SCHEMBL14805320 0.73 CYP1A2 (0.67) CYP1A2CYSLTR1CYSLTR2MEN1KMT2A

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