SCHEMBL9103976

SCHEMBL9103976

CCc1ccc2c(c1)Oc1ccccc1N2CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
PIM1 P11309 2/20 0.41
SMPD1 P17405 3/20 0.40
HDAC3 O15379 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
MMP13 P45452 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HPGD P15428 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALPG P10696 1/20 0.36
MAPK1 P28482 1/20 0.36
P2RX4 Q99571 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 2/20 0.36

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
SCHEMBL9106656 0.93 MEN1 (0.46) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL9102657 0.92 MEN1 (0.37) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL9103979 0.91 SMPD1 (0.43) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL9102031 0.90 SMPD1 (0.43) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL9103483 0.86 MAPT (0.34) SIGMAR1MEN1KMT2ATDP1SMPD1
SCHEMBL31243457 0.86 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL182696 0.86 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL9103613 0.85 P2RX4 (0.46) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL9107444 0.85 MEN1 (0.39) SIGMAR1MEN1KMT2ATDP1PIM1
SCHEMBL9106500 0.85 SIGMAR1 (0.45) SIGMAR1MEN1KMT2ATDP1PIM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268489-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2018-01-17 EP disclosed
US-9632034-B2 Fluorogenic and chromogenic substrate LI-COR, INC. (US) 2017-04-25 US disclosed
WO-2016149127-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2016-09-22 WO disclosed
US-20160266045-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2016-09-15 US disclosed
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