SCHEMBL10278769

SCHEMBL10278769

O=[N+]([O-])c1cnccc1[C@H]1C[C@@H](NCc2ccccc2)[C@@]2(O)CCC[C@H]2O1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 5/20 0.33
PRKCQ Q04759 1/20 0.33
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.31
KDM1A O60341 1/20 0.31
GRIN2B Q13224 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
POLB P06746 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL319625 0.97 MEN1 (0.35) MEN1KMT2AHTTALDH1A1PRKCQ
SCHEMBL1911232 0.81 ALDH1A1 (0.34) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL1911241 0.81 MEN1 (0.33) MEN1KMT2AHTTALDH1A1KDM4E
SCHEMBL1910714 0.80 MEN1 (0.37) MEN1KMT2AHTTALDH1A1
SCHEMBL319340 0.80 ALDH1A1 (0.33) MEN1KMT2AHTTALDH1A1THRB
SCHEMBL1911093 0.80 ALDH1A1 (0.33) MEN1KMT2AHTTALDH1A1THRB
SCHEMBL1910829 0.80 ALDH1A1 (0.33) MEN1KMT2AHTTALDH1A1PRKCQ
SCHEMBL14902741 0.80 MEN1 (0.37) MEN1KMT2A
SCHEMBL10278570 0.79 ALDH1A1 (0.34) MEN1KMT2AHTTALDH1A1PRKCQ
SCHEMBL1911125 0.78 MEN1 (0.39) MEN1KMT2A

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-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed