SCHEMBL9103626

SCHEMBL9103626

CCC(N1c2ccc(-c3ncccc3C)cc2Sc2ccc(-c3ncccc3C)cc21)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.40
PDK1 Q15118 8/20 0.34
PDK2 Q15119 8/20 0.34
PDK3 Q15120 8/20 0.34
PDK4 Q16654 8/20 0.34
PIP4K2A P48426 1/20 0.33
TRPV1 Q8NER1 5/20 0.32
ABL1 P00519 2/20 0.32
CYP2A6 P11509 1/20 0.31
CNR2 P34972 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL9102452 0.94 GRIA2 (0.40) GRIA2PDK1PDK2PDK3PDK4
SCHEMBL9102352 0.90 GRIA2 (0.31) GRIA2PDK1PDK2PDK3PDK4
SCHEMBL9100326 0.88 HDAC3 (0.30)
SCHEMBL9104645 0.86 APLNR (0.31)
SCHEMBL9100243 0.84 THRB (0.34)
SCHEMBL9100816 0.83 HDAC1 (0.33)
SCHEMBL9099076 0.83 RORB (0.35) PDK1PDK2PDK3PDK4
SCHEMBL9104426 0.82 HDAC6 (0.35)
SCHEMBL9103457 0.81 GRIA2 (0.34) GRIA2
SCHEMBL9103620 0.81 HDAC3 (0.33)

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