SCHEMBL28545006

SCHEMBL28545006

CC(C)(C)OC(N)=O.Cc1cnn(C)c1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AHR P35869 1/20 0.32
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6608600 0.85 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EKMT2AMEN1
Tert-Butylbenzene SCHEMBL27939573 0.77 MAPT (0.41) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL26299072 0.73 KMT2A (0.37) KMT2AMEN1LMNAAHRHTT
SCHEMBL28545003 0.72 MAPT (0.33) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL18255879 0.72 MAPT (0.38) ALDH1A1MAPTKDM4E
SCHEMBL23371306 0.71 KDM4E (0.38) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL24429224 0.70 MAPT (0.40) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL2212203 0.69 L3MBTL1 (0.39) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL2215634 0.68 CNR2 (0.47) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL31362961 0.68 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EKMT2A

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
CN-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 CN disclosed