SCHEMBL9107625

SCHEMBL9107625

CCCc1ccc2c(c1)N(CCCS(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
PIM1 P11309 3/20 0.44
SMPD1 P17405 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
HDAC3 O15379 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 4/20 0.37
POLB P06746 2/20 0.37
MMP13 P45452 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
P2RX4 Q99571 3/20 0.36
P2RX1 P51575 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL9104003 0.94 MEN1 (0.43) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9103979 0.93 SMPD1 (0.43) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9101887 0.92 PIM1 (0.35) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9106656 0.91 MEN1 (0.46) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9102031 0.88 SMPD1 (0.43) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9104716 0.87 MEN1 (0.35) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9100252 0.86 S1PR2 (0.36) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL9105147 0.86 SIGMAR1 (0.38) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL31243457 0.84 SIGMAR1 (0.46) MEN1KMT2ATDP1PIM1SMPD1
SCHEMBL182696 0.84 SIGMAR1 (0.46) MEN1KMT2ATDP1PIM1SMPD1

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