SCHEMBL9101706

SCHEMBL9101706

CCCCc1cc(CCCC)c2c(c1)N(C(CC)S(=O)(=O)O)c1ccccc1S2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.34
GFER P55789 1/20 0.32
ADRB3 P13945 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
PDF Q9HBH1 2/20 0.31
METAP2 P50579 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM1A O60341 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9101919 0.92 BCHE (0.33) BCHEMAPTPOLBATMNPSR1
SCHEMBL9100161 0.88 S1PR2 (0.30)
SCHEMBL9106142 0.87 BCHE (0.36) BCHEGFERMAPTPOLBATM
SCHEMBL9101553 0.86 CYP2D6 (0.35) BCHEMAPTPOLBATMNPSR1
SCHEMBL9106570 0.86 BCHE (0.36) BCHEGFERADRB3HRH2ADRA1D
SCHEMBL9105723 0.85 BCHE (0.39) BCHEGFERADRB3HRH2ADRA1D
SCHEMBL9102726 0.83 BCHE (0.39) BCHEGFERADRB3HRH2ADRA1D
SCHEMBL9107712 0.83 METAP2 (0.32) METAP2
SCHEMBL9107646 0.82
SCHEMBL9104568 0.81 BCHE (0.35) BCHEGFERMAPTPOLBATM

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