SCHEMBL8586753

SCHEMBL8586753

CC(=O)Nc1nc(C(COC(C)=O)OC(C)=O)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
ABL1 P00519 5/20 0.39
MAPK1 P28482 2/20 0.39
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL4295980 0.75 L3MBTL1 (0.51) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL12190585 0.74 L3MBTL1 (0.57) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL13609559 0.73 CSNK2A2 (0.37) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL22532026 0.72 L3MBTL1 (0.56) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL27488724 0.72 L3MBTL1 (0.56) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL9075512 0.72 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL8403922 0.72 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL3933899 0.72 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL4295973 0.70 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL13609548 0.69 CSNK2A2 (0.40) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804443-A4 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1998-04-29 EP disclosed
EP-0804443-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-11-05 EP disclosed
WO-1996022297-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1996-07-25 WO disclosed