SCHEMBL3969771

SCHEMBL3969771

CC(C)(C)OC(=O)N(C1CC1)C(C=O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CNR1 P21554 2/20 0.34
STS P08842 2/20 0.34
BCL2A1 Q16548 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 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
SCHEMBL3973794 0.80 MT-CO2 (0.38) MT-CO2MEN1KMT2ACNR1STS
SCHEMBL3977769 0.80 MT-CO2 (0.38) MT-CO2MEN1KMT2ACNR1STS
SCHEMBL3978927 0.80 GAA (0.35) MEN1KMT2ABCL2A1GAAHPGD
SCHEMBL3972679 0.74 MT-CO2 (0.34) MT-CO2MEN1KMT2ACNR1STS
SCHEMBL3973790 0.73 C5AR1 (0.40) MT-CO2MEN1KMT2AGAANFKB1
SCHEMBL3977773 0.72 AOC3 (0.43) MT-CO2MEN1KMT2ACNR1GAA
SCHEMBL23564597 0.71 POLB (0.40) MT-CO2MEN1KMT2AATMCACNA1B
SCHEMBL22308423 0.71 POLB (0.40) MT-CO2MEN1KMT2AATMCACNA1B
SCHEMBL9884410 0.70 ALOX5 (0.42) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL2550637 0.69 CCR5 (0.38) MEN1KMT2ASMN1; SMN2L3MBTL1ATM

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-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed