SCHEMBL9102037

SCHEMBL9102037

CCCCc1ccc2c(c1)Oc1ccccc1N2OS(=O)(=O)CCC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 7/20 0.36
P2RX1 P51575 1/20 0.36
SMPD1 P17405 3/20 0.35
HTR1A P08908 2/20 0.35
METAP2 P50579 1/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2C P28335 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) P2RX4P2RX1SMPD1METAP2ADRA1D
SCHEMBL9103982 0.93 P2RX4 (0.34) P2RX4P2RX1SMPD1HTR1AADRA1D
SCHEMBL9100264 0.92 CA2 (0.33) CA2SMN1; SMN2
SCHEMBL9103987 0.90 P2RX4 (0.35) P2RX4P2RX1SMN1; SMN2
SCHEMBL9102597 0.86 HTR1A (0.31) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9107635 0.86 P2RX4 (0.34) P2RX4P2RX1SMPD1ADRA1DADRA1A
SCHEMBL9103919 0.85 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9101890 0.85 CA2 (0.31) ADRA1DADRA1AADRA1BCA2
SCHEMBL9104489 0.84 P2RX4 (0.43) P2RX4P2RX1
SCHEMBL9104487 0.84 P2RX4 (0.41) P2RX4P2RX1SMN1; SMN2

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