SCHEMBL29951040

SCHEMBL29951040

O=CC1C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CES2 O00748 1/20 0.40
BCHE P06276 1/20 0.40
CES1 P23141 1/20 0.40
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.38
POLB P06746 2/20 0.38
MAOA P21397 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
SLC6A2 P23975 2/20 0.37
APP P05067 1/20 0.37
MAPT P10636 1/20 0.37
SNCA P37840 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 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
SCHEMBL32677307 0.80 MEN1 (0.47) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL8163931 0.80 MEN1 (0.34) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL31522712 0.75 MAOA (0.47) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL28878339 0.75 MEN1 (0.46) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL29956246 0.75 MEN1 (0.42) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL9142803 0.75 MAOA (0.47) MEN1KMT2AGAAALDH1A1NPSR1
Hydrochloric Acid SCHEMBL7503502 0.74 MEN1 (0.44) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL29915861 0.74 MEN1 (0.44) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL208852 0.74 MEN1 (0.44) MEN1KMT2AGAAALDH1A1NPSR1
SCHEMBL12203852 0.71 OPRM1 (0.46) MEN1KMT2AGAAALDH1A1CES2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed