SCHEMBL9105686

SCHEMBL9105686

CCC(N1c2ccccc2Sc2c(Cl)cccc21)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 9/20 0.37
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
ACHE P22303 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
MAPK13 O15264 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL9100969 0.88 BCHE (0.38) MAPTNPSR1BCHECYP2D6TSHR
SCHEMBL9103393 0.88 RAD52 (0.39) MAPTNPSR1BCHECYP2D6TSHR
SCHEMBL6276192 0.87 BCHE (0.47) MAPTNPSR1BCHECYP2D6TSHR
SCHEMBL9104229 0.86 BCHE (0.36) MAPTNPSR1BCHECYP2D6TSHR
SCHEMBL9100577 0.86 HDAC1 (0.42) MAPTNPSR1BCHECYP2D6TSHR
SCHEMBL9104568 0.84 BCHE (0.35) MAPTNPSR1BCHECYP2D6TSHR
SCHEMBL9106142 0.82 BCHE (0.36) MAPTNPSR1BCHECYP2D6TSHR
SCHEMBL9102298 0.81 SNCA (0.47) MAPTALDH1A1MAPK1BCHECYP2D6
SCHEMBL9104801 0.81 RAD52 (0.47) MAPTALDH1A1MAPK1SMN1; SMN2BCHE
SCHEMBL9102087 0.80 BCHE (0.36) MAPTNPSR1ALDH1A1THRBBCHE

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