SCHEMBL9105611

SCHEMBL9105611

CCCCc1cc(CCCC)c2c(c1)N(CCCS(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 6/20 0.35
POLB P06746 4/20 0.35
MMP13 P45452 3/20 0.35
TDP1 Q9NUW8 5/20 0.35
SMPD1 P17405 3/20 0.35
PIM1 P11309 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 4/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 4/20 0.33
ALPG P10696 2/20 0.33
P2RX4 Q99571 2/20 0.33
P2RX1 P51575 1/20 0.33
ALOX15 P16050 3/20 0.33
ALOX12 P18054 2/20 0.33
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL9105147 0.93 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL9107692 0.89 S1PR2 (0.33) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL9106489 0.88 SIGMAR1 (0.37) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL9105162 0.88 MEN1 (0.37) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL9103912 0.87 SIGMAR1 (0.37) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL9104003 0.86 MEN1 (0.43) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL9102031 0.84 SMPD1 (0.43) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL9102589 0.84 S1PR2 (0.35) SIGMAR1MEN1KMT2AMAPTPOLB
SCHEMBL9103489 0.83 MEN1 (0.34) MEN1KMT2AMAPTPOLBMMP13
SCHEMBL9101949 0.83 SIGMAR1 (0.38) SIGMAR1MEN1KMT2AMAPTPOLB

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 6 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
WO-2016149127-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2016-09-22 WO 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