SCHEMBL9099114

SCHEMBL9099114

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 1/20 0.33
NOX1 Q9Y5S8 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
SLC6A3 Q01959 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
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
SIRT1 Q96EB6 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
SCHEMBL9099098 0.89 BCHE (0.34) BCHEMAPTGAANOX1FNTA
SCHEMBL9105481 0.89 TGFBR1 (0.35) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9105569 0.88 BCHE (0.33) BCHEMAPTGAANOX1FNTA
SCHEMBL9104069 0.86 NOX1 (0.33) BCHEMAPTGAANOX1FNTA
SCHEMBL9104020 0.85 BCHE (0.33) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9102261 0.83 P2RX4 (0.33) MAPTNPSR1
SCHEMBL9102813 0.82 BCHE (0.39) BCHEMAPTGAANOX1NPSR1
SCHEMBL9101400 0.80 LMNA (0.36) BCHEMAPTNOX1FNTAFNTB
SCHEMBL9103527 0.79 FNTA (0.33) BCHEMAPTGAANOX1FNTA
SCHEMBL9104578 0.79 FNTA (0.35) BCHEMAPTGAANOX1FNTA

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