SCHEMBL6828064

SCHEMBL6828064

COc1cccc(CC2(C)CCN(Cc3ccccc3)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CMA1 P23946 1/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR3C2 P08235 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CLPP Q16740 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL6730533 0.85 KMT2A (0.56) MEN1KMT2AL3MBTL1NPSR1
SCHEMBL22147836 0.81 SIGMAR1 (0.50) SIGMAR1MEN1KMT2AL3MBTL1CMA1
SCHEMBL6732110 0.77 KMT2A (0.66) MEN1KMT2AL3MBTL1
SCHEMBL3421964 0.74 ALDH1A1 (0.46) SIGMAR1MEN1KMT2AL3MBTL1CMA1
SCHEMBL34474111 0.73 KMT2A (0.52) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL24992399 0.72 KMT2A (0.61) SIGMAR1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL5660883 0.71 LMNA (0.44) SIGMAR1MEN1KMT2APKMLMNA
SCHEMBL6828052 0.71 SIGMAR1 (0.56) SIGMAR1MEN1KMT2ACMA1PKM
SCHEMBL13201398 0.69 KMT2A (0.58) SIGMAR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL29137409 0.69 KMT2A (0.58) SIGMAR1MEN1KMT2AL3MBTL1NPSR1

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
WO-2004075847-A2 METHODS AND COMPOUNDS FOR THE TREATMENT OF Aß­ ASSOCIATED DISEASES, DISORDERS, AND CONDITIONS MESSAGE PHARMACEUTICALS, INC. (US) 2004-09-10 WO disclosed