SCHEMBL318829

SCHEMBL318829

O=[N+]([O-])c1cnccc1C1CC(O)CCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 4/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
RPS6KA3 P51812 1/20 0.30
HIPK2 Q9H2X6 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
SCHEMBL319540 0.82 KMT2A (0.45) MEN1KMT2AHTTMAPTPOLB
SCHEMBL319398 0.80 KMT2A (0.36) MEN1KMT2AHTTMAPTPOLB
SCHEMBL325128 0.78 MEN1 (0.44) MEN1KMT2AHTTMAPTPOLB
SCHEMBL320543 0.77 KMT2A (0.40) MEN1KMT2AHTTMAPTPOLB
SCHEMBL319433 0.77 MEN1 (0.38) MEN1KMT2AHTTMAPTPOLB
SCHEMBL1910806 0.77 MEN1 (0.38) MEN1KMT2AHTTMAPTPOLB
SCHEMBL319060 0.75 MEN1 (0.39) MEN1KMT2AHTTMAPTPOLB
SCHEMBL319114 0.75 KMT2A (0.46) MEN1KMT2AHTTMAPTPOLB
SCHEMBL319345 0.75 KMT2A (0.39) MEN1KMT2AHTTMAPTPOLB
SCHEMBL1910793 0.73 MEN1 (0.38) MEN1KMT2AHTTMAPTPOLB

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