SCHEMBL319398

SCHEMBL319398

CC(=O)OC1CCOC(c2ccncc2[N+](=O)[O-])C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TXNRD1 Q16881 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL318829 0.80 MEN1 (0.40) KMT2AMEN1HTTGAAMAPT
SCHEMBL319500 0.80 OPRK1 (0.32) KMT2AMEN1HTTGAA
SCHEMBL14902734 0.75 MEN1 (0.33) KMT2AMEN1HTTGAA
SCHEMBL14906115 0.75 MEN1 (0.33) KMT2AMEN1HTTGAACYP2C9
SCHEMBL1910760 0.73 MEN1 (0.32) KMT2AMEN1
SCHEMBL1911242 0.72 MEN1 (0.33) KMT2AMEN1
SCHEMBL10278859 0.72 MEN1 (0.35) KMT2AMEN1
SCHEMBL10278541 0.72 MEN1 (0.30) KMT2AMEN1
SCHEMBL319155 0.72 MEN1 (0.30) KMT2AMEN1
SCHEMBL325128 0.71 MEN1 (0.44) KMT2AMEN1HTTGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed