SCHEMBL9105178

SCHEMBL9105178

CCCCc1cccc2c1Oc1ccccc1N2OS(=O)(=O)CCC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CYP1A1 P04798 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MTNR1A P48039 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX4 Q99571 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARA Q07869 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
SCHEMBL9101955 0.93 KDM4E (0.33) KDM4EPOLBP2RX1P2RX4
SCHEMBL9102681 0.92 MTNR1A (0.32) NR1H2NR1H3CYP1A1MTNR1AALOX5
SCHEMBL9103561 0.91 KDM4E (0.34) KDM4EPOLBP2RX1P2RX4
SCHEMBL9104503 0.90 P2RX4 (0.35) NR1H2NR1H3KDM4EPOLBP2RX1
SCHEMBL9102597 0.88 HTR1A (0.31)
SCHEMBL9105619 0.88 P2RX4 (0.32) CYP1A1P2RX1P2RX4
SCHEMBL9102956 0.85
SCHEMBL9103495 0.84
SCHEMBL9100971 0.83 P2RX4 (0.35) P2RX1P2RX4MAPK1HTT
SCHEMBL9104785 0.82 AHR (0.38) KDM4EP2RX1P2RX4MEN1ALDH1A1

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