SCHEMBL9100285

SCHEMBL9100285

CCC(N1c2ccccc2Sc2cc(Br)ccc21)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 2/20 0.39
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
ACHE P22303 1/20 0.36
HSD17B3 P37058 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NOX1 Q9Y5S8 3/20 0.36
SNCA P37840 1/20 0.35
MEN1 O00255 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL9100922 0.93 BCHE (0.42) BCHESLC6A3MAPTCYP2D6TSHR
SCHEMBL6276192 0.88 BCHE (0.47) BCHEMAPTCYP2D6TSHRCYP2C19
SCHEMBL9102414 0.86 BCHE (0.41) BCHEMAPTCYP2D6TSHRCYP2C19
SCHEMBL9102602 0.85 CYP2D6 (0.41) BCHESLC6A3MAPTCYP2D6TSHR
SCHEMBL9102298 0.85 SNCA (0.47) BCHEMAPTCYP2D6ACHESNCA
SCHEMBL9104535 0.83 BCHE (0.38) BCHEMAPTCYP2D6TSHRCYP2C19
SCHEMBL9104147 0.81 BCHE (0.41) BCHEMAPTCYP2D6TSHRCYP2C19
SCHEMBL9102726 0.81 BCHE (0.39) BCHESLC6A3MAPTCYP2D6TSHR
SCHEMBL9104229 0.81 BCHE (0.36) BCHESLC6A3MAPTCYP2D6TSHR
SCHEMBL9100134 0.81 CYP2D6 (0.46) BCHESLC6A3MAPTCYP2D6TSHR

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