SCHEMBL4582625

SCHEMBL4582625

CC(C)(C)C(NC(=O)O)C(NC(=O)c1cc(Br)c(Br)s1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
AKT1 P31749 4/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 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
SCHEMBL4384197 0.83 HDAC1 (0.47) ALDH1A1MEN1KMT2AHDAC1HDAC3
SCHEMBL4378512 0.83 AKT1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4543985 0.79 AKT1 (0.47) ALDH1A1AKT1AKT2AKT3
SCHEMBL4389462 0.77 HDAC1 (0.45) ALDH1A1MEN1KMT2AHDAC1LMNA
SCHEMBL4541274 0.75 STAT3 (0.36) MEN1KMT2ALMNAAKT1TP53
SCHEMBL4584578 0.74 POLB (0.34) MEN1KMT2AMAPTPOLBAKT1
SCHEMBL4379140 0.74 AKT1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4373621 0.73 AKT1 (0.39) KMT2AAKT1AKT2AKT3
SCHEMBL4380031 0.73 AKT1 (0.39) KMT2AAKT1AKT2AKT3
SCHEMBL4541679 0.73 AKT1 (0.41) ALDH1A1HDAC1HDAC3HDAC4KDM4E

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