SCHEMBL30009284

SCHEMBL30009284

Cc1ccc(C(=O)C2CC(C)C(=O)N(C)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ABCB1 P08183 2/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
BRD4 O60885 2/20 0.37

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
SCHEMBL30009649 0.83 ACHE (0.41) KMT2ASMN1; SMN2MEN1L3MBTL1MAPT
SCHEMBL30009926 0.79 HTT (0.46) KMT2ASMN1; SMN2MEN1L3MBTL1MAPT
SCHEMBL30009368 0.77 MAPT (0.38) KMT2AMEN1MAPTHPGDBRD4
SCHEMBL30009915 0.76 ACHE (0.41) KMT2AGAASMN1; SMN2MEN1L3MBTL1
SCHEMBL30009601 0.75 ALDH1A1 (0.47) KMT2AGAASMN1; SMN2MEN1LMNA
SCHEMBL30009059 0.72 KMT2A (0.53) KMT2ASMN1; SMN2MEN1ALDH1A1PTGDR2
SCHEMBL4703431 0.70 AADAT (0.44) KMT2AGAASMN1; SMN2MEN1LMNA
SCHEMBL29915935 0.67 MEN1 (0.52) KMT2AGAASMN1; SMN2MEN1LMNA
SCHEMBL17974970 0.65 MEN1 (0.49) KMT2AGAASMN1; SMN2MEN1LMNA
SCHEMBL29557464 0.65 BRD4 (0.49) KMT2AGAASMN1; SMN2MEN1LMNA

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