SCHEMBL9107621

SCHEMBL9107621

CCCc1ccc2c(c1)N(C(CC)S(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.36
P2RX1 P51575 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIM1 P11309 1/20 0.35
METAP2 P50579 1/20 0.35
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL9103992 0.93 P2RX4 (0.38) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9103974 0.93 P2RX4 (0.36) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9101879 0.92 HTR2A (0.31) METAP2
SCHEMBL9106652 0.91 P2RX4 (0.38) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9104702 0.87 METAP2 (0.31) P2RX4METAP2
SCHEMBL9102028 0.86 P2RX4 (0.38) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9105135 0.85 P2RX4 (0.32) P2RX4P2RX1HDAC3HDAC6
SCHEMBL9100247 0.85 METAP2 (0.33) METAP2
SCHEMBL9106158 0.84 P2RX4 (0.43) P2RX4P2RX1PIM1SLC1A3SLC1A2
SCHEMBL9102737 0.83 PIM1 (0.52) P2RX4PIM1

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