SCHEMBL9105569

SCHEMBL9105569

CCC(N1c2ccccc2Sc2cccc(-c3cccc(Cl)n3)c21)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.33
MAPT P10636 2/20 0.33
NOX1 Q9Y5S8 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACHE P22303 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9105481 0.89 TGFBR1 (0.35) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9099098 0.89 BCHE (0.34) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9099114 0.88 BCHE (0.33) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9104069 0.86 NOX1 (0.33) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9104020 0.85 BCHE (0.33) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9100718 0.83 P2RX4 (0.33) MAPTNPSR1
SCHEMBL9100577 0.82 HDAC1 (0.42) BCHEMAPTNOX1CYP2D6TSHR
SCHEMBL9101787 0.80 LMNA (0.36) BCHEMAPTFNTAFNTBHDAC1
SCHEMBL9104578 0.79 FNTA (0.35) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9103527 0.79 FNTA (0.33) BCHEMAPTNOX1FNTAFNTB

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