SCHEMBL9106579

SCHEMBL9106579

CCCCc1cc(CCCC)c2c(c1)Sc1ccccc1N2OS(=O)(=O)CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.37
ADRB3 P13945 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GFER P55789 1/20 0.33
KDM1A O60341 1/20 0.33
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 2/20 0.32
MAPT P10636 3/20 0.31
HTT P42858 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NOX1 Q9Y5S8 1/20 0.31
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9100815 0.92 BCHE (0.34) BCHEADRB3HRH2ADRA1DHTR2A
SCHEMBL9103667 0.90 DRD2 (0.32) HTR2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9107660 0.88
SCHEMBL9105875 0.87 BCHE (0.39) BCHEADRB3HRH2ADRA1DHTR2A
SCHEMBL9105539 0.87 BCHE (0.35) BCHEPOLBATMACHEMAPT
SCHEMBL9101719 0.85 BCHE (0.34) BCHEADRB3HRH2ADRA1DHTR2A
SCHEMBL9102746 0.85 BCHE (0.39) BCHEADRB3HRH2ADRA1DHTR2A
SCHEMBL9105734 0.83 BCHE (0.39) BCHEADRB3HRH2ADRA1DHTR2A
SCHEMBL9103910 0.82 TP53 (0.33) BCHEHTR2AMAPTTP53
SCHEMBL9100175 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP disclosed