SCHEMBL10970102

SCHEMBL10970102

Cn1c(=O)c2c(ncn2CCC(O)OC(=O)c2cccnc2)n(C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 3/20 0.52
ADORA2B P29275 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.46

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
Etofylline Nicotinate SCHEMBL1649975 0.84 ADORA2B (0.64) LMNAGAARXFP1ADORA2BSMN1; SMN2
SCHEMBL11389921 0.83 LMNA (0.57) LMNAGAARXFP1ADORA2BSMN1; SMN2
Diniprofylline SCHEMBL30035984 0.82 LMNA (0.55) LMNAGAARXFP1ADORA2BSMN1; SMN2
Diniprofylline SCHEMBL2108045 0.82 LMNA (0.55) LMNAGAARXFP1ADORA2BSMN1; SMN2
SCHEMBL10970100 0.82 LMNA (0.64) LMNAGAARXFP1ADORA2BSMN1; SMN2
SCHEMBL10964915 0.80 ALDH1A1 (0.53) RXFP1ADORA2BSMN1; SMN2ALDH1A1TP53
SCHEMBL25295543 0.79 LMNA (0.56) LMNAGAARXFP1ADORA2BSMN1; SMN2
SCHEMBL30563571 0.79 LMNA (0.56) LMNAGAARXFP1ADORA2BSMN1; SMN2
Etofylline SCHEMBL27405019 0.79 LMNA (0.70) LMNAGAARXFP1ADORA2BSMN1; SMN2
SCHEMBL11377360 0.79 LMNA (0.59) LMNAGAARXFP1ADORA2BSMN1; 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
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