SCHEMBL319540

SCHEMBL319540

O=[N+]([O-])c1cnccc1C1CCC(O)CO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 3/20 0.39
HTT P42858 4/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
HIPK2 Q9H2X6 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HCAR3 P49019 1/20 0.31
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 0.82 MEN1 (0.40) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL325128 0.77 MEN1 (0.44) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL319324 0.75 MEN1 (0.39) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL793501 0.75 MEN1 (0.51) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL319114 0.74 KMT2A (0.46) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL320543 0.74 KMT2A (0.40) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1910806 0.74 MEN1 (0.38) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL319433 0.74 MEN1 (0.38) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL1910793 0.73 MEN1 (0.38) KMT2AMEN1ALDH1A1HTTRAB9A
SCHEMBL319060 0.72 MEN1 (0.39) KMT2AMEN1ALDH1A1HTTRAB9A

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