SCHEMBL9105162

SCHEMBL9105162

CCCCc1cccc2c1Oc1ccccc1N2CCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
MAPT P10636 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 4/20 0.37
HTT P42858 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLB P06746 4/20 0.37
MMP13 P45452 3/20 0.37
MTNR1A P48039 1/20 0.35
TDP1 Q9NUW8 5/20 0.35
HPGD P15428 4/20 0.35
SMPD1 P17405 2/20 0.35
ALPG P10696 2/20 0.35
PIM1 P11309 2/20 0.34
PPARG P37231 5/20 0.34
ALOX15 P16050 3/20 0.34
ALOX12 P18054 2/20 0.34
CASP1 P29466 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL9101949 0.94 SIGMAR1 (0.38) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9102674 0.91 MTNR1A (0.35) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9103557 0.91 MEN1 (0.39) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9102589 0.89 S1PR2 (0.35) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9105611 0.88 SIGMAR1 (0.38) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9104498 0.88 SIGMAR1 (0.38) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9102942 0.85 MAPT (0.35) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9103489 0.83 MEN1 (0.34) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9104061 0.83 MAPT (0.33) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9105147 0.83 SIGMAR1 (0.38) MEN1MAPTKMT2AALDH1A1MAPK1

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