SCHEMBL30009649

SCHEMBL30009649

CC1CC(C(=O)c2ccc(N3CCOCC3)cc2)c2ccccc2N(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
AKT1 P31749 4/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
PSMD14 O00487 1/20 0.40
MAOB P27338 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CYP3A4 P08684 1/20 0.39
PIK3CA P42336 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GSK3B P49841 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30009915 0.87 ACHE (0.41) ACHEAKT1KMT2AHPGDPARP1
SCHEMBL30009284 0.83 KMT2A (0.49) KMT2AHPGDALDH1A1MAPTMEN1
SCHEMBL30009926 0.72 HTT (0.46) ACHEKMT2AHPGDPARP1ALDH1A1
SCHEMBL30009368 0.70 MAPT (0.38) KMT2AHPGDMAPTMEN1HSD11B1
SCHEMBL30009601 0.69 ALDH1A1 (0.47) KMT2AHPGDALDH1A1MAPTMEN1
SCHEMBL30010139 0.68 HSD11B1 (0.54) HPGDALDH1A1MAPTMAOBSMN1; SMN2
SCHEMBL30009059 0.67 KMT2A (0.53) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL1239981 0.66 HSD11B1 (0.68) HPGDALDH1A1MAPTMAOBSMN1; SMN2
SCHEMBL25551307 0.65 RIPK1 (0.48) KMT2AHPGDALDH1A1MEN1CYP3A4
SCHEMBL4703431 0.65 AADAT (0.44) ACHEKMT2AHPGDALDH1A1MAPT

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
CN-115141212-A Synthetic method of benzoazacyclo skeleton containing oxygen bridged ring 南通大学 2022-10-04 CN disclosed