SCHEMBL9102087

SCHEMBL9102087

CCC(N1c2ccccc2Sc2c(C)cc(C)cc21)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9100969 0.87 BCHE (0.38) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9100996 0.86 NR3C1 (0.33)
SCHEMBL9104147 0.84 BCHE (0.41) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9104955 0.84 BCHE (0.39) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL6276192 0.84 BCHE (0.47) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9102414 0.82 BCHE (0.41) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9105222 0.81 DRD3 (0.31) BCHEMAPTPOLBKMT2A
SCHEMBL9101553 0.81 CYP2D6 (0.35) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9101919 0.80 BCHE (0.33) BCHECYP2C19CYP2D6TSHRMAPT
SCHEMBL9105686 0.80 MAPT (0.38) BCHECYP2C19CYP2D6TSHRMAPT

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