SCHEMBL10970100

SCHEMBL10970100

Cn1c(=O)c2c(ncn2CC(O)COC(=O)c2cccnc2)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 2/20 0.56
RXFP1 Q9HBX9 6/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA2B P29275 1/20 0.47

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
Diniprofylline SCHEMBL2108045 0.89 LMNA (0.55) LMNASMN1; SMN2POLBRXFP1GAA
Diniprofylline SCHEMBL30035984 0.89 LMNA (0.55) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL11389921 0.86 LMNA (0.57) LMNASMN1; SMN2RXFP1GAAALDH1A1
Etofylline Nicotinate SCHEMBL1649975 0.85 ADORA2B (0.64) LMNASMN1; SMN2RXFP1GAAALDH1A1
SCHEMBL10970102 0.82 LMNA (0.56) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL25295543 0.80 LMNA (0.56) LMNASMN1; SMN2RXFP1GAAL3MBTL1
SCHEMBL30563571 0.80 LMNA (0.56) LMNASMN1; SMN2RXFP1GAAL3MBTL1
SCHEMBL10967060 0.80 RXFP1 (0.54) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL11389732 0.79 PDE1A (0.55) LMNASMN1; SMN2RXFP1GAAALDH1A1
Xanthinol SCHEMBL121655 0.78 LMNA (1.00) LMNASMN1; SMN2POLBRXFP1GAA

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
EP-0049494-B1 ESTERS OF 7-HYDROXYALKYL-1,3-DIMETHYL XANTHINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS LIPID DIMINISHERS King Consult GmbH (DE) 1985-04-17 EP claimed