SCHEMBL9100797

SCHEMBL9100797

CCCc1cc(CCC)c2c(c1)Sc1ccccc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL9106570 0.92 BCHE (0.36) BCHEMAPTGAANOX1NPSR1
SCHEMBL9105615 0.89
SCHEMBL9105532 0.88 BCHE (0.37) BCHEMAPTGAANOX1NPSR1
SCHEMBL9099248 0.88
SCHEMBL9105202 0.87 BCHE (0.38) BCHEMAPTGAANOX1NPSR1
SCHEMBL9101919 0.85 BCHE (0.33) BCHEMAPTGAANPSR1CYP2D6
SCHEMBL9104535 0.84 BCHE (0.38) BCHEMAPTGAANPSR1CYP2D6
SCHEMBL9100567 0.82 BCHE (0.38) BCHEMAPTGAANPSR1CYP2D6
SCHEMBL9103772 0.82 CYP2D6 (0.31) BCHEMAPTGAACYP2D6TSHR
SCHEMBL9102320 0.81

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