SCHEMBL3973794

SCHEMBL3973794

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.38
NPY5R Q15761 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 3/20 0.34
STS P08842 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL3977769 0.82 MT-CO2 (0.38) MT-CO2MEN1KMT2AGAAHPGD
SCHEMBL3969771 0.80 MT-CO2 (0.38) MT-CO2MEN1KMT2AGAAHPGD
SCHEMBL3973790 0.76 C5AR1 (0.40) MT-CO2MEN1KMT2AGAACYP3A4
SCHEMBL3977773 0.75 AOC3 (0.43) MT-CO2MEN1KMT2AGAASMN1; SMN2
SCHEMBL3972679 0.74 MT-CO2 (0.34) MT-CO2MEN1KMT2AGAAALDH1A1
SCHEMBL9884410 0.73 ALOX5 (0.42) SMN1; SMN2ALDH1A1NPC1MAPTMAPK1
SCHEMBL22327650 0.71 MT-CO2 (0.42) MT-CO2MEN1KMT2AL3MBTL1CYP3A4
SCHEMBL12526565 0.71 REN (0.35) KMT2AALDH1A1NPC1MAPTMAPK1
SCHEMBL23564597 0.71 POLB (0.40) MT-CO2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL22308423 0.71 POLB (0.40) MT-CO2MEN1KMT2ACYP2C9CYP2C19

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