SCHEMBL8267449

SCHEMBL8267449

CC(C)CC1(C)NC(=N)N(CC2CCN(S(=O)(=O)c3cc(C(C)(F)F)cc(C(F)(F)F)c3)CC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 8/20 0.36
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KMT2A Q03164 3/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7525422 0.97 GAA (0.39) GAAHPGDCNR1BRD4ATAD2
SCHEMBL7530815 0.88 GAA (0.51) GAAHPGDCNR1L3MBTL1KMT2A
SCHEMBL7530986 0.88 MEN1 (0.43) GAAHPGDKCNH2KMT2AMMP12
SCHEMBL7523514 0.85 ALDH1A1 (0.37) GAAHPGDL3MBTL1KMT2AALDH1A1
SCHEMBL7531137 0.85 TRPV4 (0.39) GAAHPGDL3MBTL1KMT2AMEN1
SCHEMBL7524858 0.83 HSD11B1 (0.43) GAAHPGDKMT2AMEN1ALDH1A1
SCHEMBL7527062 0.83 SLC13A5 (0.38) GAAHPGDCNR1L3MBTL1KMT2A
SCHEMBL7531033 0.82 KMT2A (0.46) GAABRD4ATAD2KMT2AMEN1
SCHEMBL7523271 0.81 ALDH1A1 (0.48) GAAHPGDL3MBTL1KMT2AALDH1A1
SCHEMBL7525178 0.81 ALDH1A1 (0.36) GAAHPGDKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 WO disclosed