SCHEMBL22965154

SCHEMBL22965154

CCOC(=O)CCCn1c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
GAA P10253 1/20 0.58
PTGDR2 Q9Y5Y4 4/20 0.58
HPGD P15428 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 4/20 0.56
FAAH O00519 2/20 0.56
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.53
TNF P01375 1/20 0.53
CTNNB1 P35222 1/20 0.52
PIN1 Q13526 1/20 0.52

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
SCHEMBL8268109 0.89 PTGDR2 (0.53) KDM4EGAAPTGDR2HPGDHSD17B10
SCHEMBL8268110 0.88 FAAH (0.54) KDM4EGAAPTGDR2HPGDHSD17B10
SCHEMBL4175599 0.87 KDM4E (0.66) KDM4EGAAPTGDR2HPGDHSD17B10
SCHEMBL16421862 0.86 GAA (0.59) KDM4EGAAPTGDR2HPGDHSD17B10
SCHEMBL4180937 0.86 KDM4E (0.65) KDM4EGAAPTGDR2HPGDHSD17B10
SCHEMBL22965159 0.84 KDM4E (0.69) KDM4EHPGDHSD17B10ALDH1A1HTT
SCHEMBL22965212 0.82 PTGDR2 (0.59) KDM4EGAAPTGDR2HPGDHSD17B10
SCHEMBL7397143 0.82 SIRT2 (0.60) KDM4EGAAPTGDR2HPGDALDH1A1
SCHEMBL22965259 0.82 PTGDR2 (0.63) KDM4EGAAPTGDR2HPGDHSD17B10
SCHEMBL22965246 0.82 PTGDR2 (0.54) KDM4EGAAPTGDR2HPGDHSD17B10

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-2021023796-A1 COMPOSITIONS FOR TRANSFECTING A NUCLEIC ACID MOLECULE INTO A CELL COMPRISING HETEROCYCLIC COMPOUNDS GRAFTED TO A CATIONIC POLYMER, AND THEIR APPLICATIONS POLYPLUS TRANSFECTION (FR) 2021-02-11 WO disclosed