SCHEMBL8376182

SCHEMBL8376182

CC(O)c1ccc2c(Br)c3ccccc3c(Br)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.50
NOX1 Q9Y5S8 1/20 0.39
KIF11 P52732 2/20 0.37
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
AKR1B1 P15121 1/20 0.34
EYA3 Q99504 1/20 0.33
PTPN5 P54829 1/20 0.32
KDM4E B2RXH2 2/20 0.32
RECQL P46063 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL4355031 0.75 RECQL (0.36) UGT2B7KMT2AMEN1LMNACYP1A2
SCHEMBL16034770 0.74 UGT2B7 (0.68) UGT2B7PLGPLAUKMT2AMEN1
SCHEMBL16033569 0.73 UGT2B7 (0.71) UGT2B7KMT2AMEN1LMNACYP1A2
SCHEMBL8610327 0.70 ALDH1A1 (0.50) UGT2B7NOX1KIF11KMT2AMEN1
SCHEMBL29887131 0.70 MEN1 (0.51) UGT2B7KMT2AMEN1CYP1A2CYP2D6
SCHEMBL2311546 0.69 GPR3 (0.55) UGT2B7KIF11KMT2AMEN1LMNA
SCHEMBL11484010 0.69 UGT2B7 (0.48) UGT2B7NOX1PLGPLAUKMT2A
SCHEMBL31557593 0.69 KIF11 (0.47) KIF11KMT2AMEN1LMNACYP1A2
SCHEMBL27937445 0.69 KIF11 (0.47) KIF11KMT2AMEN1LMNACYP1A2
SCHEMBL22000436 0.68 UGT2B7 (0.44) UGT2B7NOX1KMT2AMEN1LMNA

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