SCHEMBL9100577

SCHEMBL9100577

CCC(N1c2ccccc2Sc2cccc(Cl)c21)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BCHE P06276 11/20 0.39
MAPT P10636 2/20 0.39
NOX1 Q9Y5S8 1/20 0.38
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
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL9105514 0.86 BCHE (0.41) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9105686 0.86 MAPT (0.38) HDAC1HDAC6BCHEMAPTNOX1
SCHEMBL9100651 0.86 BCHE (0.40) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL6276192 0.86 BCHE (0.47) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9102813 0.85 BCHE (0.39) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9101787 0.84 LMNA (0.36) HDAC1HDAC6BCHEMAPT
SCHEMBL9105202 0.83 BCHE (0.38) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9105569 0.82 BCHE (0.33) HDAC1HDAC6BCHEMAPTNOX1
SCHEMBL9105866 0.81 BCHE (0.39) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9104801 0.81 RAD52 (0.47) BCHEMAPTCYP2D6CYP2C19ACHE

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