SCHEMBL28922129

SCHEMBL28922129

C=CC1(c2ccccc2)CC1(C(N)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
SLC6A4 P31645 2/20 0.35
TET3 O43151 2/20 0.35
FBXL19 Q6PCT2 2/20 0.35
CXXC5 Q7LFL8 2/20 0.35
TET1 Q8NFU7 2/20 0.35
KDM2B Q8NHM5 2/20 0.35
CXXC4 Q9H2H0 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
SLC6A2 P23975 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20249699 0.73 ELOVL1 (0.44) KMT2AMEN1SLC6A4SMN1; SMN2L3MBTL1
SCHEMBL28487473 0.73 SLC6A4 (0.46) KMT2AMEN1SLC6A4SMN1; SMN2L3MBTL1
SCHEMBL31560810 0.73 ELOVL1 (0.44) KMT2AMEN1SLC6A4SMN1; SMN2L3MBTL1
SCHEMBL28426673 0.71 AKR1C1 (0.53) KMT2AMEN1SMN1; SMN2L3MBTL1LMNA
SCHEMBL6553149 0.68 SLC6A4 (0.46) KMT2AMEN1SLC6A4LMNASLC6A2
SCHEMBL11048173 0.68 SLC6A4 (0.46) KMT2AMEN1SLC6A4SMN1; SMN2L3MBTL1
SCHEMBL16833940 0.67 SLC6A4 (0.44) KMT2AMEN1SLC6A4SMN1; SMN2L3MBTL1
SCHEMBL7602755 0.65 AKR1C1 (0.50) KMT2AMEN1SLC6A4SMN1; SMN2L3MBTL1
SCHEMBL28149790 0.64 AKR1C1 (0.46) KMT2AMEN1SLC6A4POLBGAA
SCHEMBL29642400 0.63 PNMT (0.42) KMT2AMEN1L3MBTL1LMNAPOLB

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-115536573-B Method for synthesizing azabicyclo [3.1.0] hexane-2-ketone compound 河南师范大学 2024-01-30 CN disclosed
CN-115536573-A Method for synthesizing azabicyclo [3.1.0] hexane-2-ketone compound 河南师范大学 2022-12-30 CN disclosed