SCHEMBL28545003

SCHEMBL28545003

CC(c1cnn(C)c1C(N)=O)C(C)(C)OC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22521076 0.77 MAPT (0.40) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL28545006 0.72 ALDH1A1 (0.35) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL24429224 0.67 MAPT (0.40) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL27664204 0.66 CNR2 (0.32) LMNA
SCHEMBL2099625 0.65 ALDH1A1 (0.42) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL6608600 0.65 ALDH1A1 (0.42) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL12259007 0.64 KAT2B (0.51) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL18255879 0.64 MAPT (0.38) MAPTKDM4EALDH1A1
SCHEMBL3724833 0.63 HTT (0.49) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL6605048 0.63 HTT (0.55) MAPTKDM4EALDH1A1NPC1RAB9A

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