SCHEMBL9105532

SCHEMBL9105532

CCc1cc(CC)c2c(c1)Sc1ccccc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.37
MAPT P10636 3/20 0.37
NOX1 Q9Y5S8 2/20 0.36
CYP2D6 P10635 2/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACHE P22303 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9101371 0.89 CYP2D6 (0.35) CYP2D6
SCHEMBL9100797 0.88 BCHE (0.35) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9102671 0.87 RAD52 (0.32)
SCHEMBL9106570 0.86 BCHE (0.36) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9100651 0.86 BCHE (0.40) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9102602 0.85 CYP2D6 (0.41) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9101553 0.84 CYP2D6 (0.35) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL6276192 0.83 BCHE (0.47) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9100134 0.82 CYP2D6 (0.46) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9102580 0.81 CYP2D6 (0.39) BCHEMAPTNOX1CYP2D6TSHR

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