SCHEMBL9105723

SCHEMBL9105723

CCCCc1ccc2c(c1)N(C(CC)S(=O)(=O)O)c1ccccc1S2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.39
METAP2 P50579 1/20 0.37
ADRB3 P13945 1/20 0.37
HRH2 P25021 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GFER P55789 1/20 0.37
CYP2D6 P10635 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM1A O60341 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9102726 0.93 BCHE (0.39) BCHEMETAP2ADRB3HRH2ADRA1D
SCHEMBL9100567 0.93 BCHE (0.38) BCHEMETAP2CYP2D6POLBATM
SCHEMBL9101691 0.92 METAP2 (0.33) BCHEMETAP2HTR2A
SCHEMBL9100134 0.89 CYP2D6 (0.46) BCHESLC6A3CYP2D6POLBATM
SCHEMBL9103899 0.86 S1PR2 (0.33) BCHEMETAP2CYP2D6POLBATM
SCHEMBL9104535 0.86 BCHE (0.38) BCHEMETAP2CYP2D6POLBATM
SCHEMBL9101706 0.85 BCHE (0.34) BCHEMETAP2ADRB3HRH2ADRA1D
SCHEMBL9100349 0.85 METAP2 (0.31) METAP2
SCHEMBL6276192 0.84 BCHE (0.47) BCHECYP2D6POLBATMMAPT
SCHEMBL9106570 0.83 BCHE (0.36) BCHEADRB3HRH2ADRA1DHTR2A

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