SCHEMBL7626872

SCHEMBL7626872

CC(=O)On1cnc2cncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 9/20 0.34
HSD17B10 Q99714 5/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP3A4 P08684 11/20 0.33
CYP1A2 P05177 11/20 0.33
CYP2C9 P11712 7/20 0.33
CYP2C19 P33261 6/20 0.33
USP2 O75604 5/20 0.33
MAPK1 P28482 1/20 0.33
LTA4H P09960 1/20 0.33
TSHR P16473 8/20 0.33
LMNA P02545 4/20 0.33
CLK4 Q9HAZ1 4/20 0.33
MEN1 O00255 2/20 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
SCHEMBL1831225 0.83 FDPS (0.42) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL16671779 0.83 FDPS (0.43) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL27698357 0.83 FDPS (0.40) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL28010152 0.81 FDPS (0.40) FDPSHDAC1HDAC6ALDH1A1CYP3A4
SCHEMBL8066131 0.81 FDPS (0.40) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL28278721 0.80 HDAC1 (0.40) FDPSHDAC1HDAC6ALDH1A1CYP3A4
SCHEMBL1398869 0.79 FDPS (0.41) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL28391613 0.78 GRM5 (0.43) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL28858829 0.77 FDPS (0.38) FDPSHDAC1HDAC6ALDH1A1HSD17B10
SCHEMBL13281305 0.77 FDPS (0.41) FDPSHDAC1HDAC6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114994160-A Analysis method for detecting formaldehyde-treated protein/polypeptide/amino acid food/product 天津医科大学 2022-09-02 CN claimed
CN-101437526-A Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORP (US) 2009-05-20 CN disclosed
EP-1177201-A1 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 EP disclosed
EP-1177202-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 EP disclosed
WO-2000069876-A1 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 WO disclosed
WO-2000069877-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 WO disclosed