SCHEMBL28003015

SCHEMBL28003015

CC(=O)N(C)C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CHRM5 P08912 1/20 0.51
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL13194992 0.85 KMT2A (0.56) KMT2AMEN1ALDH1A1NPC1GAA
SCHEMBL1713620 0.82 GAA (0.51) KMT2AMEN1ALDH1A1NPC1GAA
SCHEMBL24323862 0.79 HTR6 (0.47) KMT2AMEN1ALDH1A1NPC1GAA
SCHEMBL1868938 0.79 F13A1 (0.66)
SCHEMBL24057949 0.78 POLB (0.56) ALDH1A1SMN1; SMN2CHRM5POLB
SCHEMBL8295952 0.77 KMT2A (0.49) KMT2AMEN1NPC1GAAMAPT
SCHEMBL19658738 0.76 NPY5R (0.56) NPC1L3MBTL1ATM
SCHEMBL2285784 0.75 ALDH1A1 (0.76) KMT2AMEN1ALDH1A1NPC1GAA
SCHEMBL762416 0.75 KMT2A (0.74) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL2015601 0.75 GAA (0.61) KMT2AMEN1ALDH1A1NPC1GAA

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
CN-103396399-B Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same DAIICHI SANKYO CO LTD 2015-04-29 CN claimed