SCHEMBL8014656

SCHEMBL8014656

O=[N+]([O-])c1ccc(CSS)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
IDO1 P14902 4/20 0.58
LOXL2 Q9Y4K0 1/20 0.55
TSHR P16473 1/20 0.52
MAPT P10636 3/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
GFER P55789 1/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7166059 0.84 CYP2C19 (0.56) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL3244320 0.83 CYP2C19 (0.63) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL1035377 0.83 CYP2C19 (0.81) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7489100 0.82 CYP2C19 (0.58) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7244787 0.81 CYP2C19 (0.79) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL12263877 0.80 TSHR (0.58) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL513720 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL513721 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL28866767 0.79 IDO1 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL4266569 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036000-A Threshold color control system ENZYMATICS, INC. (US) 1991-07-30 US claimed
EP-0279988-B1 DIGITAL THRESHOLD COLOUR CONTROL SYSTEM ENZYMATICS, INC. (US) 1991-04-24 EP claimed
EP-0279988-A1 Digital threshold colour control system ENZYMATICS, INC. (US) 1988-08-31 EP claimed
WO-1988004694-A1 DIGITAL THRESHOLD COLOR CONTROL SYSTEM ENZYMATICS, INC. (US) 1988-06-30 WO claimed
CN-114989053-A Method for synthesizing asymmetric disulfide by cross coupling of thiophenol and sulfoxide 温州大学新材料与产业技术研究院 2022-09-02 CN disclosed
CN-107325058-B Diaryl methylene disulfide compound and preparation method and application thereof 苏州大学 2020-07-24 CN disclosed
CN-107325058-A Two fragrant methylene disulfide compounds and preparation method and application 苏州大学 2017-11-07 CN disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
US-5663164-A CEPHALOSPORIN ANTIBIOTICS AS BACTERICIDES ROUSSEL UCLAF (FR) 1997-09-02 US disclosed
US-5036000-A Threshold color control system ENZYMATICS, INC. (US) 1991-07-30 US disclosed
EP-0279988-B1 DIGITAL THRESHOLD COLOUR CONTROL SYSTEM ENZYMATICS, INC. (US) 1991-04-24 EP disclosed
EP-0279988-A1 Digital threshold colour control system ENZYMATICS, INC. (US) 1988-08-31 EP disclosed
WO-1988004694-A1 DIGITAL THRESHOLD COLOR CONTROL SYSTEM ENZYMATICS, INC. (US) 1988-06-30 WO disclosed