SCHEMBL22450141

SCHEMBL22450141

CCCCN(CC)C(=O)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 2/20 0.54
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACHE P22303 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL31504001 0.88 LMNA (0.50) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL3483514 0.88 LMNA (0.50) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL6754891 0.87 MEN1 (0.51) MEN1KMT2ALMNAMAPTATM
SCHEMBL5623546 0.86 MEN1 (0.81) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL22622046 0.85 LMNA (0.48) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL11307504 0.83 KMT2A (0.69) MEN1KMT2ALMNASMN1; SMN2HSD17B10
SCHEMBL28298919 0.83 KMT2A (0.58) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL4854943 0.82 ACHE (0.52) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9373248 0.82 MEN1 (0.46) MEN1KMT2ALMNAMAPT
SCHEMBL9160789 0.81 MEN1 (0.45) MEN1KMT2ALMNAMAPT

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
EP-3712140-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS California Institute of Technology (US) 2020-09-23 EP disclosed