SCHEMBL9102452

SCHEMBL9102452

CCC(N1c2ccccc2Sc2ccc(-c3ncccc3C)cc21)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.40
BCHE P06276 5/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDK1 Q15118 4/20 0.33
PDK2 Q15119 4/20 0.33
PDK3 Q15120 4/20 0.33
PDK4 Q16654 4/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9103626 0.94 GRIA2 (0.40) GRIA2PDK1PDK2PDK3PDK4
SCHEMBL9100243 0.90 THRB (0.34) BCHEHDAC3HDAC1HDAC6CYP2D6
SCHEMBL9100816 0.89 HDAC1 (0.33) BCHEHDAC3HDAC1HDAC6CYP2D6
SCHEMBL9099076 0.89 RORB (0.35) BCHEHDAC3HDAC1HDAC6CYP2D6
SCHEMBL9104426 0.88 HDAC6 (0.35) BCHEHDAC3HDAC1HDAC6MAPT
SCHEMBL9103457 0.87 GRIA2 (0.34) GRIA2HDAC3HDAC1HDAC6TSHR
SCHEMBL9103620 0.86 HDAC3 (0.33) BCHEHDAC3HDAC1HDAC6MAPT
SCHEMBL9102352 0.84 GRIA2 (0.31) GRIA2PDK1PDK2PDK3PDK4
SCHEMBL9102741 0.82 GRIA2 (0.38) GRIA2PDK1PDK2PDK3PDK4
SCHEMBL9103994 0.82 LMNA (0.36) BCHEHDAC3HDAC1HDAC6CYP2D6

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