SCHEMBL22965233

SCHEMBL22965233

CCOC(=O)CCCn1nnc2ncccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.45
CTNNB1 P35222 1/20 0.44
ASAH1 Q13510 1/20 0.44
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CREBBP Q92793 1/20 0.41
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL22965243 0.81 SLC9A1 (0.61) TNFKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL22965223 0.79 TNF (0.49) TNFCTNNB1GAACREBBPCNR1
SCHEMBL22965161 0.78 TNF (0.45) TNFCTNNB1GAAKDM4EHSD17B10
SCHEMBL13825807 0.78 SLC9A1 (0.62) KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL16526235 0.77 SLC9A1 (0.60) ASAH1ALDH1A1HTTLMNA
SCHEMBL12393295 0.77 SLC9A1 (0.63) KDM4EHSD17B10LMNA
SCHEMBL22965158 0.76 KDM4E (0.44) TNFKDM4EHSD17B10ALDH1A1
SCHEMBL29328629 0.74 GAA (0.46) TNFGAAKDM4EHSD17B10ALDH1A1
SCHEMBL15141852 0.73 EGLN3 (0.65) GAAKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL2216669 0.72 SIRT2 (0.48) ASAH1ALDH1A1

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