SCHEMBL9102741

SCHEMBL9102741

CCC(N1c2ccccc2Oc2ccc(-c3ncccc3C)cc21)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.38
PDK1 Q15118 7/20 0.33
PDK2 Q15119 6/20 0.33
PDK3 Q15120 6/20 0.33
PDK4 Q16654 6/20 0.33
P2RX4 Q99571 3/20 0.32
ABL1 P00519 1/20 0.32
TRPV1 Q8NER1 3/20 0.31
PIM1 P11309 1/20 0.31
CYP2A6 P11509 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9104404 0.94 GRIA2 (0.38) GRIA2PDK1PDK2PDK3PDK4
SCHEMBL9102286 0.90 CHRM1 (0.33) P2RX4PIM1LMNA
SCHEMBL9105801 0.89 PIM1 (0.35) PDK1PDK2PDK3PDK4P2RX4
SCHEMBL9103559 0.89 P2RX4 (0.31) P2RX4PIM1
SCHEMBL9103943 0.88 CHRM1 (0.32) P2RX4PIM1
SCHEMBL9101980 0.87 GRIA2 (0.32) GRIA2
SCHEMBL9105077 0.86 APLNR (0.34) PIM1
SCHEMBL9100299 0.84 PDK1 (0.30) PDK1PDK2PDK3PDK4
SCHEMBL9103542 0.83 TP53 (0.33) P2RX4LMNASMN1; SMN2
SCHEMBL9102452 0.82 GRIA2 (0.40) GRIA2PDK1PDK2PDK3PDK4

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