SCHEMBL320452

SCHEMBL320452

CC1OC(c2ccncc2[N+](=O)[O-])CC(=O)C1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 4/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
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
SCHEMBL10278802 1.00 KMT2A (0.36) KMT2AMEN1HTTMAPTPOLB
SCHEMBL10278807 1.00 KMT2A (0.36) KMT2AMEN1HTTMAPTPOLB
SCHEMBL1911110 0.88 MEN1 (0.37) KMT2AMEN1HTTMAPTPOLB
SCHEMBL10278926 0.85 HTT (0.34) KMT2AMEN1HTTMAPTPOLB
SCHEMBL10278924 0.85 MEN1 (0.34) KMT2AMEN1HTTMAPTPOLB
SCHEMBL1910819 0.85 MEN1 (0.34) KMT2AMEN1HTTMAPTPOLB
SCHEMBL14902733 0.84 MEN1 (0.37) KMT2AMEN1HTTMAPTPOLB
SCHEMBL1910769 0.83 MEN1 (0.33) KMT2AMEN1HTTMAPTPOLB
SCHEMBL10278454 0.82 MEN1 (0.33) KMT2AMEN1HTTMAPTPOLB
SCHEMBL10278490 0.80 MEN1 (0.33) KMT2AMEN1

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