SCHEMBL8218487

SCHEMBL8218487

CC#Cc1ccc(N2CCOCC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.60
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL22197948 0.83 HTR3A (0.46) ADKMAPTKMT2APIK3CAMTOR
SCHEMBL14130867 0.81 MAPT (0.45) ADKMAPTPIK3CAMTOR
SCHEMBL14130936 0.81 PLD1 (0.46) ADKALDH1A1HSD17B10KDM4EMAPT
SCHEMBL585663 0.81 ADK (0.56) ADKALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1570081 0.81 ADK (0.56) ADKALDH1A1HSD17B10HPGDKDM4E
SCHEMBL15541360 0.81 ADK (0.56) ADKALDH1A1HSD17B10HPGDKDM4E
SCHEMBL523894 0.81 ADK (0.56) ADKALDH1A1HSD17B10HPGDKDM4E
SCHEMBL22197978 0.78 MAPT (0.42) ADKKDM4EGAAMAPTPIK3CA
SCHEMBL22197947 0.77 DRD2 (0.43) KDM4EGAAMAPTPIK3CAMTOR
SCHEMBL1432681 0.76 ADK (0.57) ADKALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 WO disclosed