SCHEMBL4374642

SCHEMBL4374642

CC(C)(C)C(CN1C(=O)c2ccccc2C1=O)(NC(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CHRM2 P08172 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RPS6KA2 Q15349 1/20 0.38

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
SCHEMBL4375382 0.77 CYP2C19 (0.41) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL4583697 0.74 KMT2A (0.48) CA12CA9KMT2AMEN1RAB9A
SCHEMBL28650967 0.73 CA12 (0.50) CA12CA9KMT2AMEN1RAB9A
SCHEMBL16266052 0.71 CA12 (0.47) CA12CA9KMT2AMEN1RAB9A
SCHEMBL28655810 0.70 CA12 (0.55) CA12CA9KMT2AMEN1RAB9A
SCHEMBL4374146 0.69 KMT2A (0.41) CA12CA9KMT2AMEN1RAB9A
SCHEMBL6389352 0.69 CA12 (0.49) CA12CA9KMT2AMEN1RAB9A
SCHEMBL10507444 0.69 CA12 (0.52) CA12CA9KMT2AMEN1RAB9A
SCHEMBL14908703 0.68 CA12 (0.42) CA12CA9KMT2AMEN1RAB9A
SCHEMBL13484325 0.68 ALDH1A1 (0.52) CA12CA9KMT2AMEN1ALDH1A1

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-2114388-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-11-11 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2008098105-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed