SCHEMBL9103588

SCHEMBL9103588

Cc1cc(C)c2c(c1)N(CCCS(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.38
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
POLB P06746 5/20 0.36
MMP13 P45452 4/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALPG P10696 2/20 0.36
PIM1 P11309 2/20 0.35
ALOX15 P16050 3/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
RAD52 P43351 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9100103 0.87 ALDH1A1 (0.34) MAPTTDP1MEN1KMT2APOLB
SCHEMBL9100967 0.87 SIGMAR1 (0.38) P2RX4SIGMAR1MAPTTDP1MEN1
SCHEMBL9106163 0.84 P2RX4 (0.46) P2RX4SIGMAR1MAPTTDP1MEN1
SCHEMBL9105464 0.84 P2RX4 (0.40) P2RX4SIGMAR1MAPTTDP1MEN1
SCHEMBL182696 0.82 SIGMAR1 (0.46) P2RX4SIGMAR1MAPTTDP1MEN1
SCHEMBL31243457 0.82 SIGMAR1 (0.46) P2RX4SIGMAR1MAPTTDP1MEN1
SCHEMBL9103613 0.82 P2RX4 (0.46) P2RX4SIGMAR1MAPTTDP1MEN1
SCHEMBL9106500 0.81 SIGMAR1 (0.45) P2RX4SIGMAR1MAPTTDP1MEN1
SCHEMBL9105101 0.81 POLB (0.35) P2RX4MAPTTDP1MEN1KMT2A
SCHEMBL9105147 0.80 SIGMAR1 (0.38) P2RX4SIGMAR1MAPTTDP1MEN1

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