SCHEMBL9105616

SCHEMBL9105616

CCC(N1c2cc(C)ccc2Sc2cccc(C)c21)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.35
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 3/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL9105514 0.88 BCHE (0.41) BCHECYP2C19CYP2D6TSHRPOLB
SCHEMBL9107461 0.87 NR3C1 (0.32)
SCHEMBL9104147 0.86 BCHE (0.41) BCHECYP2C19CYP2D6TSHRPOLB
SCHEMBL9100996 0.85 NR3C1 (0.33)
SCHEMBL9102550 0.82 BCHE (0.32) BCHECYP2C19CYP2D6TSHRLMNA
SCHEMBL9104043 0.82 HSD17B3 (0.31) BCHECYP2C19CYP2D6TSHRPOLB
SCHEMBL9104955 0.81 BCHE (0.39) BCHECYP2C19CYP2D6TSHRPOLB
SCHEMBL9102414 0.79 BCHE (0.41) BCHECYP2C19CYP2D6TSHRPOLB
SCHEMBL9102580 0.79 CYP2D6 (0.39) BCHECYP2C19CYP2D6TSHRLMNA
SCHEMBL9104596 0.78 P2RX4 (0.35) TSHRTP53POLBLMNAMAPT

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