SCHEMBL10028545

SCHEMBL10028545

CSC(C)=C1c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
GAA P10253 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 7/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SCN2A Q99250 1/20 0.34
APP P05067 2/20 0.34
SNCA P37840 2/20 0.34
LMNA P02545 1/20 0.33
MGLL Q99685 1/20 0.33
MT-CO2 P00403 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL12584469 0.89 ALDH1A1 (0.36) ALDH1A1NPSR1CES2BCHEGAA
SCHEMBL12584534 0.87 OPRK1 (0.38) ALDH1A1NPSR1CES2BCHEGAA
SCHEMBL10028483 0.86 ALDH1A1 (0.46) ALDH1A1NPSR1CES2BCHEGAA
SCHEMBL12584519 0.85 ALDH1A1 (0.38) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL12584074 0.85 NR1H3 (0.43) ALDH1A1BCHEGAAKMT2AMEN1
SCHEMBL13705938 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1CES2BCHEGAA
SCHEMBL12584075 0.82 HSP90AA1 (0.41) ALDH1A1GAAKMT2AMAPTCYP1A2
SCHEMBL10062634 0.81 ALDH1A1 (0.42) ALDH1A1NPSR1CES2BCHEGAA
SCHEMBL13705923 0.80 TTR (0.41) ALDH1A1CES1KMT2AMEN1MAPT
SCHEMBL12584532 0.80 ALDH1A1 (0.38) ALDH1A1NPSR1CES2BCHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106203-B2 Assay methods using chemiluminescent detection of peroxidase LUMIGEN, INC. (US) 2012-01-31 US disclosed
EP-2096110-B1 Acridane-9-dithiocarboxylate derivatives for generating chemiluminescence with a peroxidase LUMIGEN INC (US) 2011-06-22 EP disclosed
US-20090246819-A1 Assay Methods Using Chemiluminescent Detection of Peroxidase LUMIGEN, INC. 2009-10-01 US disclosed
EP-2096110-A1 Acridane-9-dithiocarboxylate derivatives for generating chemiluminescence with a peroxidase LUMIGEN, INC. (US) 2009-09-02 EP disclosed
US-7560556-B2 Assay methods using chemiluminescent detection of peroxidase LUMIGEN, INC. (US) 2009-07-14 US disclosed
EP-1456176-B1 IMPROVED COMPOUNDS FOR GENERATING CHEMILUMINESCENCE WITH A PEROXIDASE LUMIGEN INC (US) 2009-03-18 EP disclosed
US-7247726-B2 Compounds for generating chemiluminescence with a peroxidase LUMIGEN, INC. (US) 2007-07-24 US disclosed