SCHEMBL9103879

SCHEMBL9103879

CCC(N1c2ccccc2Oc2c(Br)cccc21)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 12/20 0.38
P2RX1 P51575 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIM1 P11309 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDE4B Q07343 1/20 0.30
P2RX3 P56373 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9102626 0.89 P2RX4 (0.39) P2RX4P2RX1MEN1KMT2APIM1
SCHEMBL9103553 0.86 P2RX4 (0.39) P2RX4P2RX1PIM1HDAC3HDAC6
SCHEMBL9100957 0.86 P2RX4 (0.39) P2RX4P2RX1PIM1HDAC3HDAC6
SCHEMBL9104773 0.85 AHR (0.41) P2RX4P2RX1MEN1KMT2APIM1
SCHEMBL9101943 0.83 P2RX4 (0.36) P2RX4P2RX1PIM1HDAC3HDAC6
SCHEMBL9099173 0.83 AHR (0.39) P2RX4P2RX1PIM1PDE4BMAPT
SCHEMBL9101896 0.83 AHR (0.39) P2RX4P2RX1PIM1PDE4BMAPT
SCHEMBL9105156 0.81 P2RX4 (0.35) P2RX4P2RX1MEN1KMT2APIM1
SCHEMBL9101918 0.80 P2RX4 (0.40) P2RX4P2RX1PIM1HDAC3HDAC6
SCHEMBL9104348 0.80 P2RX4 (0.40) P2RX4P2RX1PIM1HDAC3HDAC6

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