SCHEMBL9105156

SCHEMBL9105156

CCCCc1cccc2c1Oc1ccccc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.35
P2RX1 P51575 1/20 0.35
MTNR1A P48039 4/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PIM1 P11309 1/20 0.32
CYP1A1 P04798 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL9101943 0.93 P2RX4 (0.36) P2RX4P2RX1PIM1
SCHEMBL9102664 0.91 MTNR1A (0.33) P2RX4P2RX1MTNR1ANR1H2NR1H3
SCHEMBL9104492 0.90 P2RX4 (0.37) P2RX4P2RX1NR1H2NR1H3PIM1
SCHEMBL9103553 0.90 P2RX4 (0.39) P2RX4P2RX1PIM1
SCHEMBL9102584 0.89 METAP2 (0.32)
SCHEMBL9105608 0.88 P2RX4 (0.33) P2RX4P2RX1PIM1
SCHEMBL9102934 0.84 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9103487 0.83
SCHEMBL9102980 0.83 P2RX4 (0.39) P2RX4P2RX1PIM1
SCHEMBL9100957 0.82 P2RX4 (0.39) P2RX4P2RX1PIM1

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