SCHEMBL9102602

SCHEMBL9102602

CCc1ccc2c(c1)Sc1ccccc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
BCHE P06276 7/20 0.39
MAPT P10636 3/20 0.39
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
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ADRA1A P35348 1/20 0.36
HTR6 P50406 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NOX1 Q9Y5S8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL9100134 0.93 CYP2D6 (0.46) CYP2D6BCHEMAPTTSHRCYP2C19
SCHEMBL9102684 0.91 CYP2D6 (0.37) CYP2D6MAPTL3MBTL1NPC1ALDH1A1
SCHEMBL9104535 0.91 BCHE (0.38) CYP2D6BCHEMAPTTSHRCYP2C19
SCHEMBL9102726 0.89 BCHE (0.39) CYP2D6BCHEMAPTTSHRCYP2C19
SCHEMBL6276192 0.88 BCHE (0.47) CYP2D6BCHEMAPTTSHRCYP2C19
SCHEMBL9102414 0.86 BCHE (0.41) CYP2D6BCHEMAPTTSHRCYP2C19
SCHEMBL9102163 0.86 RAD52 (0.32) CYP2D6MAPTL3MBTL1NPC1ALDH1A1
SCHEMBL9100285 0.85 BCHE (0.42) CYP2D6BCHEMAPTTSHRCYP2C19
SCHEMBL9102298 0.85 SNCA (0.47) CYP2D6BCHEMAPTACHEL3MBTL1
SCHEMBL9105532 0.85 BCHE (0.37) CYP2D6BCHEMAPTTSHRCYP2C19

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