SCHEMBL4435146

SCHEMBL4435146

CC(C)(C)C(NC(=O)O)C(Cc1ccccc1)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALOX12 P18054 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 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
SCHEMBL4428623 0.78 CTSV (0.49)
SCHEMBL4521805 0.77 ROCK2 (0.54)
SCHEMBL2685893 0.75 CTSS (0.66) IDO1
SCHEMBL2685894 0.75 CTSS (0.66) IDO1
SCHEMBL2686271 0.74 HDAC8 (0.53) IDO1MEN1KMT2ARAB9ANPC1
SCHEMBL2686273 0.74 HDAC8 (0.53) IDO1MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL2686252 0.73 HDAC8 (0.55) IDO1MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL2686253 0.73 HDAC8 (0.55) IDO1MEN1KMT2ARAB9ANPC1
SCHEMBL3331401 0.72 IDO1 (0.44) IDO1MEN1KMT2ARAB9ANPC1
SCHEMBL15875954 0.71 IDO1 (0.52) IDO1MEN1KMT2ARAB9AALDH1A1

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