SCHEMBL4384197

SCHEMBL4384197

CC(C)(C)C(NC(=O)O)C(NC(=O)c1ccc(Br)s1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC6 Q9UBN7 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGDS O60760 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL4582625 0.83 ALDH1A1 (0.44) HDAC1HDAC3HDAC4ALDH1A1L3MBTL1
SCHEMBL4375386 0.82 ACKR3 (0.43) HDAC1HDAC3HDAC4ALDH1A1L3MBTL1
SCHEMBL4382189 0.82 ACKR3 (0.43) HDAC1HDAC3HDAC4ALDH1A1L3MBTL1
SCHEMBL4583047 0.79 HDAC4 (0.41) HDAC1HDAC3HDAC4ALDH1A1HDAC6
SCHEMBL4389462 0.79 HDAC1 (0.45) HDAC1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4379925 0.78 HDAC1 (0.38) HDAC1HDAC3HDAC4ALDH1A1HDAC6
SCHEMBL4541679 0.77 AKT1 (0.41) HDAC1HDAC3HDAC4ALDH1A1HDAC6
SCHEMBL4583850 0.74 AKT1 (0.67) HPGDS
SCHEMBL4543985 0.72 AKT1 (0.47) ALDH1A1
SCHEMBL3509308 0.71 GAA (0.48) HDAC1HDAC3HDAC4ALDH1A1L3MBTL1

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed