SCHEMBL9105202

SCHEMBL9105202

CCCc1cccc2c1N(C(CC)S(=O)(=O)O)c1ccccc1S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
ACHE P22303 3/20 0.38
NOX1 Q9Y5S8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
ALOX12 P18054 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SLC22A1 O15245 1/20 0.34

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
SCHEMBL9105866 0.93 BCHE (0.39) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL9100651 0.92 BCHE (0.40) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL9104783 0.90 RAD52 (0.31) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL9103772 0.88 CYP2D6 (0.31) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL9100797 0.87 BCHE (0.35) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL9104568 0.86 BCHE (0.35) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL9102715 0.85 HDAC6 (0.35) BCHEMAPTGAANPSR1
SCHEMBL9105514 0.84 BCHE (0.41) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL6276192 0.84 BCHE (0.47) BCHECYP2D6TSHRCYP2C19MAPT
SCHEMBL9102813 0.83 BCHE (0.39) BCHECYP2D6TSHRCYP2C19MAPT

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