SCHEMBL1908352

SCHEMBL1908352

CC(C)(C)OC(=O)NC1(c2ccc(-c3oc4ncc([N+](=O)[O-])cc4c3-c3ccccc3)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
AKT2 P31751 1/20 0.41
KIT P10721 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PDE2A O00408 4/20 0.34
BCL2 P10415 1/20 0.33
BECN1 Q14457 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EGFR P00533 1/20 0.33
ALOX5 P09917 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
SCHEMBL14118930 0.89 TACR3 (0.37) AKT1MAPTPDE2ANPC1RAB9A
SCHEMBL14118927 0.89 TACR3 (0.37) AKT1MAPTPDE2ANPC1RAB9A
SCHEMBL1907534 0.88 AKT1 (0.44) AKT1AKT2KITSMN1; SMN2ALDH1A1
SCHEMBL1905670 0.80 AKT1 (0.47) AKT1AKT2
SCHEMBL12095371 0.80 AKT1 (0.34) AKT1AKT2SMN1; SMN2MAPTALDH1A1
SCHEMBL1907910 0.80 AKT1 (0.42) AKT1AKT2KITSMN1; SMN2MAPT
SCHEMBL1534681 0.79 AKT1 (0.44) AKT1AKT2KITALDH1A1CNR1
SCHEMBL1903104 0.79 AKT1 (0.44) AKT1AKT2KITCNR1CNR2
SCHEMBL1535047 0.77 AKT1 (0.38) AKT1AKT2KITSMN1; SMN2GAA
SCHEMBL14118774 0.77 AKT1 (0.41) AKT1AKT2KITCNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 WO disclosed