SCHEMBL9101943

SCHEMBL9101943

CCCc1cccc2c1Oc1ccccc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.36
P2RX1 P51575 1/20 0.36
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PIM1 P11309 1/20 0.31
MAOA P21397 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
HTT P42858 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
SCHEMBL9105156 0.93 P2RX4 (0.35) P2RX4P2RX1PIM1
SCHEMBL9103553 0.92 P2RX4 (0.39) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9102934 0.91 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9102980 0.89 P2RX4 (0.39) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9104054 0.88 METAP2 (0.30)
SCHEMBL9105135 0.88 P2RX4 (0.32) P2RX4P2RX1HDAC3HDAC6GPR84
SCHEMBL9100957 0.84 P2RX4 (0.39) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9102664 0.84 MTNR1A (0.33) P2RX4P2RX1
SCHEMBL9104773 0.83 AHR (0.41) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9103879 0.83 P2RX4 (0.38) P2RX4P2RX1HDAC3HDAC6PIM1

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