SCHEMBL9770212

SCHEMBL9770212

CCN(CC)c1ccc(N=C2CC(=O)C(=O)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
GAA P10253 3/20 0.54
GFER P55789 1/20 0.54
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LRRK2 Q5S007 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3525290 0.89 MEN1 (0.51) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL10481663 0.79 BCHE (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL9491479 0.73 LRRK2 (0.48) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL12764857 0.72 MEN1 (0.45) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL10820047 0.72 MEN1 (0.45) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL28970922 0.70 MEN1 (0.42) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL5509539 0.69 MEN1 (0.53) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL1896739 0.69 MEN1 (0.53) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL14507761 0.69 MEN1 (0.46) MEN1KMT2AGAAGFERALDH1A1
SCHEMBL6850488 0.66 ALDH1A1 (0.57) MEN1KMT2AGAAALDH1A1MAPT

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-5004674-A Organic compound which releases a free radical on contact with light rays and a compound which changes in absorption spectra due to free radical in a layer on a support FUJI PHOTO FILM CO., LTD. (JP) 1991-04-02 US disclosed