SCHEMBL4583047

SCHEMBL4583047

CC(C)(C)C(NC(=O)O)C(NCc1ccc(Br)s1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.35
HDAC1 Q13547 2/20 0.34
HPGD P15428 1/20 0.34
KEAP1 Q14145 3/20 0.32
NFE2L2 Q16236 3/20 0.32
HDAC3 O15379 1/20 0.32
APAF1 O14727 1/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL4384197 0.79 HDAC1 (0.47) HDAC4HDAC6ALDH1A1KMT2AMEN1
SCHEMBL4582625 0.70 ALDH1A1 (0.44) HDAC4HDAC6ALDH1A1KMT2AMEN1
SCHEMBL4389462 0.70 HDAC1 (0.45) ALDH1A1KMT2AMEN1HDAC1HPGD
SCHEMBL4382189 0.69 ACKR3 (0.43) HDAC4ALDH1A1KMT2AMEN1GAA
SCHEMBL4375386 0.69 ACKR3 (0.43) HDAC4ALDH1A1KMT2AMEN1GAA
SCHEMBL4380601 0.66 SLC6A4 (0.47) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL9943767 0.66 DAO (0.44) HDAC6ALDH1A1KMT2AMEN1GAA
SCHEMBL13884377 0.65 HDAC4 (0.45) HDAC4HDAC6KMT2AMEN1TP53
SCHEMBL4377187 0.65 DPP4 (0.43) ALDH1A1KMT2ALMNARIPK1
SCHEMBL4373941 0.65 DPP4 (0.43) ALDH1A1KMT2ALMNARIPK1

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-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed