SCHEMBL9105875

SCHEMBL9105875

CCCCc1cccc2c1N(OS(=O)(=O)CCC)c1ccccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.39
KDM1A O60341 1/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
HRH2 P25021 2/20 0.34
HTR2A P28223 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 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
SCHEMBL9105213 0.93 BCHE (0.36) BCHEPOLBATMHRH2HTR2A
SCHEMBL9100671 0.91 BCHE (0.38) BCHEKDM1APOLBATMMAPT
SCHEMBL9102146 0.90 BCHE (0.32) BCHENR1H2NR1H3
SCHEMBL9103910 0.88 TP53 (0.33) BCHEHTR2AHTR2CDRD3MAPT
SCHEMBL9106579 0.87 BCHE (0.37) BCHEKDM1AGFERPOLBATM
SCHEMBL9106151 0.86 BCHE (0.37) BCHEKDM1AGFERHRH2HTR2A
SCHEMBL9102293 0.85 BCHE (0.33) BCHEGFERMAPTHTTNR1H2
SCHEMBL9105527 0.83 BCHE (0.41) BCHEPOLBATMMAPTNPSR1
SCHEMBL9100175 0.83
SCHEMBL9104796 0.83

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