SCHEMBL8376185

SCHEMBL8376185

OCCc1ccc2c(Br)c3ccccc3c(Br)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.44
CA2 P00918 2/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
PDK2 Q15119 1/20 0.37
BAD Q92934 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 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
SCHEMBL2310288 0.84 TDP1 (0.52) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL28218741 0.78 SKP2 (0.47) CA2CYP1A2CYP2D6CYP2C19HTT
SCHEMBL4355034 0.77 ALDH1A1 (0.46) TDP1ALDH1A1KDM4EGAACA2
SCHEMBL2312897 0.76 CYP1A2 (0.57) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL2313249 0.74 CYP1A2 (0.60) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL2310621 0.73 ALDH1A1 (0.50) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL2312307 0.73 HTR2A (0.44) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL2311043 0.73 HTR2A (0.44) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL2310522 0.72 HPRT1 (0.52) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL2308691 0.72 CYP1A2 (0.42) TDP1ALDH1A1KDM4EALOX5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716746-B1 FLUORESCENT OXYGEN CHANNELING IMMUNOASSAYS BEHRINGWERKE AG (DE) 1999-03-17 EP disclosed
US-5807675-A PHOTOSENSITIZER; GENERATING FREE RADICALS; MEASURING LIGHT BEHRINGWERKE AG (DE) 1998-09-15 US disclosed
US-5616719-A Photoactive indicator compounds BEHRINGWERKE AG (DE) 1997-04-01 US disclosed
EP-0716746-A1 FLUORESCENT OXYGEN CHANNELING IMMUNOASSAYS BEHRINGWERKE AG (DE) 1996-06-19 EP disclosed
WO-1995006877-A1 FLUORESCENT OXYGEN CHANNELING IMMUNOASSAYS BEHRINGWERKE AG (DE) 1995-03-09 WO disclosed