SCHEMBL319206

SCHEMBL319206

CC1OC(c2ccncc2[N+](=O)[O-])CC(NCc2ccccc2)C1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.42
KDM1A O60341 7/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL1911223 1.00 FUCA1 (0.42) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL319229 0.89 FUCA1 (0.39) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL10278488 0.89 FUCA1 (0.39) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL1911252 0.88 FUCA1 (0.38) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL319110 0.88 FUCA1 (0.38) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL1911145 0.88 FUCA1 (0.38) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL1911139 0.87 FUCA1 (0.36) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL1910730 0.87 FUCA1 (0.36) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL12503269 0.87 FUCA1 (0.36) FUCA1KDM1AMAOAMAOBALDH1A1
SCHEMBL320692 0.83 KDM1A (0.33) FUCA1KDM1AMAOAMAOBALDH1A1

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