SCHEMBL4440845

SCHEMBL4440845

CC(C)(C)C(NC(=O)O)C(C(=O)Nc1ccc(Br)c(Cl)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
LMNA P02545 6/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 6/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 4/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44

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
SCHEMBL4554357 0.79 RORC (0.46) HDAC1MEN1KMT2ALMNAMAPT
SCHEMBL13949529 0.76 MEN1 (0.66) HDAC1MEN1KMT2ALMNAMAPT
SCHEMBL27783025 0.71 MAPT (0.65) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3329872 0.71 MEN1 (0.49) HDAC1MEN1KMT2ALMNAMAPT
SCHEMBL16685574 0.71 KMT2A (0.70) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL13300078 0.70 LMNA (0.49) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL22724808 0.69 MAPT (0.61) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL12443480 0.69 MEN1 (1.00) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL31192562 0.69 MAPT (0.61) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL1117871 0.67 MAPT (0.67) MEN1KMT2ALMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed