SCHEMBL9105481

SCHEMBL9105481

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.35
BCHE P06276 4/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33

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 0.90 BCHE (0.34) BCHECYP2D6TSHRCYP2C19FNTA
SCHEMBL9099114 0.89 BCHE (0.33) BCHECYP2D6TSHRCYP2C19FNTA
SCHEMBL9105569 0.89 BCHE (0.33) BCHECYP2D6TSHRCYP2C19FNTA
SCHEMBL9104069 0.87 NOX1 (0.33) BCHECYP2D6TSHRCYP2C19FNTA
SCHEMBL9104578 0.86 FNTA (0.35) BCHECYP2D6TSHRCYP2C19FNTA
SCHEMBL9104020 0.85 BCHE (0.33) BCHEFNTAFNTBMAPTNOX1
SCHEMBL9102272 0.82 PDE4B (0.34) TGFBR1MAPT
SCHEMBL9105514 0.81 BCHE (0.41) BCHECYP2D6TSHRCYP2C19ACHE
SCHEMBL9103994 0.80 LMNA (0.36) BCHECYP2D6TSHRCYP2C19FNTA
SCHEMBL9103527 0.80 FNTA (0.33) BCHECYP2D6TSHRCYP2C19FNTA

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