SCHEMBL1114402

SCHEMBL1114402

Oc1c(Br)cc(C2=NCON2Cc2cccc(C(F)(F)F)c2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.38
TEAD1 P28347 5/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 2/20 0.37
ABHD6 Q9BV23 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
MAPK10 P53779 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1114522 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EGAAFAAHPOLB
SCHEMBL12644446 0.69 TAAR1 (0.56) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL1114403 0.67 TEAD1 (0.38) ALDH1A1KDM4EGAAFAAHPOLB
SCHEMBL1114224 0.63 KDM4E (0.41) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL30424935 0.62 ALDH1A1 (0.50) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL30747663 0.61 FAAH (0.67) ALDH1A1KDM4EGAAFAAHLMNA
SCHEMBL9820666 0.60 MEN1 (0.55) ALDH1A1GAALMNAHTTMEN1
SCHEMBL4244138 0.60 ALDH1A1 (0.97) ALDH1A1KDM4EGAAFAAHPOLB
SCHEMBL4240373 0.60 ALDH1A1 (0.72) ALDH1A1KDM4EGAAFAAHLMNA
SCHEMBL2093612 0.60 KDM4E (0.72) ALDH1A1KDM4EGAAFAAHPOLB

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
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP claimed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
EP-2278879-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES Institute for OneWorld Health (US) 2011-02-02 EP disclosed
WO-2009131957-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed