SCHEMBL9101568

SCHEMBL9101568

CCCS(=O)(=O)ON1c2ccccc2Sc2c(CC)cc(CC)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
BCHE P06276 6/20 0.33
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
F2 P00734 1/20 0.30
VDR P11473 1/20 0.30
ACHE P22303 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
SCHEMBL9101932 0.89 BCHE (0.32) HTTMAPTBCHENPSR1ACHE
SCHEMBL9101719 0.87 BCHE (0.34) BCHEPOLB
SCHEMBL9105591 0.87
SCHEMBL9103401 0.86 BCHE (0.35) HTTMAPTBCHENPSR1KDM4E
SCHEMBL9100150 0.85 CYP2D6 (0.44) HTTMAPTCYP2D6BCHENPSR1
SCHEMBL9105539 0.84 BCHE (0.35) HTTMAPTCYP2D6BCHENPSR1
SCHEMBL9547663 0.83 BCHE (0.45) HTTMAPTBCHENPSR1POLB
SCHEMBL9102618 0.82 CYP2D6 (0.39) HTTMAPTCYP2D6BCHENPSR1
SCHEMBL9104584 0.81 BCHE (0.34) HTTMAPTBCHENPSR1KDM4E
SCHEMBL7519303 0.81 BCHE (0.44) HTTMAPTBCHENPSR1POLB

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