SCHEMBL9107635

SCHEMBL9107635

CCCc1ccc2c(c1)N(OS(=O)(=O)CCC)c1ccccc1O2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.34
P2RX1 P51575 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
SMPD1 P17405 2/20 0.34
P2RX3 P56373 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
SCHEMBL9104010 0.93 P2RX4 (0.36) P2RX4P2RX1ADRA1DADRA1AADRA1B
SCHEMBL9103982 0.93 P2RX4 (0.34) P2RX4P2RX1HDAC3HDAC6ADRA1D
SCHEMBL9106662 0.92 P2RX4 (0.35) P2RX4P2RX1HDAC3HDAC6P2RX3
SCHEMBL9101890 0.92 CA2 (0.31) ADRA1DADRA1AADRA1B
SCHEMBL9104725 0.86
SCHEMBL9102037 0.86 P2RX4 (0.36) P2RX4P2RX1ADRA1DADRA1AADRA1B
SCHEMBL9104489 0.86 P2RX4 (0.43) P2RX4P2RX1HDAC3HDAC6P2RX3
SCHEMBL9104487 0.86 P2RX4 (0.41) P2RX4P2RX1HDAC3HDAC6P2RX3
SCHEMBL9106168 0.85 P2RX4 (0.43) P2RX4P2RX1
SCHEMBL9105150 0.85 P2RX1 (0.30) P2RX4P2RX1

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