SCHEMBL10687

SCHEMBL10687

CC(C)COC(=O)n1ncc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.46
FGFR1 P11362 2/20 0.43
FGFR4 P22455 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.42
HDAC8 Q9BY41 1/20 0.37
P2RX4 Q99571 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR4 Q13639 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL3943731 0.91 HDAC8 (0.42) KMOIRAK4HDAC8P2RX4GPR119
SCHEMBL9796 0.77 KMO (0.46) KMOFGFR1FGFR4IRAK4GPR119
SCHEMBL29507001 0.77 KMO (0.46) KMOFGFR1FGFR4IRAK4GPR119
SCHEMBL14720169 0.77 IRAK4 (0.46) KMOIRAK4GPR119ALDH1A1
SCHEMBL3525570 0.76 CHEK1 (0.54) KMOFGFR1FGFR4IRAK4ALDH1A1
SCHEMBL27792735 0.75 KMO (0.52) KMOFGFR1FGFR4IRAK4HDAC8
SCHEMBL31165887 0.75 CHEK1 (0.43) KMOFGFR1FGFR4IRAK4HDAC8
SCHEMBL16459525 0.74 KMO (0.57) KMOFGFR1FGFR4IRAK4HDAC8
SCHEMBL14720210 0.74 NTSR1 (0.46) P2RX4ALDH1A1HTR2AHTR2CKCNK3
SCHEMBL8539342 0.73 ALDH1A1 (0.45) P2RX4ALDH1A1KCNK3KCNK9MAPT

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
WO-2013028445-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 WO disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed