SCHEMBL320543

SCHEMBL320543

O=[N+]([O-])c1cnccc1C1OCCC(O)C1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.35
HTT P42858 4/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.33
GPR35 Q9HC97 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
SLC18A3 Q16572 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
SCHEMBL318829 0.77 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL325128 0.75 MEN1 (0.44) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL320743 0.74 MEN1 (0.38) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL319540 0.74 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL793501 0.73 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL319345 0.72 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL319114 0.72 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1910661 0.72 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL319533 0.72 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL1910662 0.72 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTHTT

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