SCHEMBL22965259

SCHEMBL22965259

CCOC(=O)CCCn1c(SC)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.63
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PSMD14 O00487 1/20 0.53
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TNF P01375 1/20 0.52
HTT P42858 2/20 0.51
CTNNB1 P35222 1/20 0.51
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL16421862 0.85 GAA (0.59) PTGDR2GAAHSD17B10KDM4ETNF
SCHEMBL22965154 0.82 KDM4E (0.62) PTGDR2GAAHSD17B10KDM4ETNF
SCHEMBL22965212 0.81 PTGDR2 (0.59) PTGDR2GAAHSD17B10KDM4ETNF
SCHEMBL22965246 0.81 PTGDR2 (0.54) PTGDR2GAAL3MBTL1HSD17B10KDM4E
SCHEMBL22965222 0.80 ALDH1A1 (0.54) PTGDR2HSD17B10KDM4ETNFHTT
SCHEMBL22965231 0.80 TSHR (0.59) PTGDR2L3MBTL1HSD17B10KDM4ETNF
SCHEMBL25400141 0.78 KDM4E (0.53) PTGDR2GAAHSD17B10KDM4ETNF
SCHEMBL30536652 0.78 KDM4E (0.53) PTGDR2GAAHSD17B10KDM4ETNF
SCHEMBL11201897 0.78 HTT (0.55) L3MBTL1KDM4EHTTLMNASMN1; SMN2
SCHEMBL7745965 0.78 SMN1; SMN2 (0.58) PTGDR2HSD17B10KDM4ELMNASMN1; SMN2

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