SCHEMBL10653583

SCHEMBL10653583

Cn1c(=O)c2c(ncn2CC(O)C(N)=O)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
LMNA P02545 3/20 0.71
POLB P06746 2/20 0.68
ADORA2B P29275 7/20 0.61
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 1/20 0.57
RXFP1 Q9HBX9 4/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL10856504 0.88 SMN1; SMN2 (0.73) SMN1; SMN2LMNAPOLBADORA2BMEN1
SCHEMBL10653610 0.86 LMNA (0.67) SMN1; SMN2LMNAPOLBADORA2BMAPT
Water SCHEMBL10856790 0.85 LMNA (0.65) SMN1; SMN2LMNAPOLBADORA2BMAPT
SCHEMBL20161775 0.85 LMNA (0.77) SMN1; SMN2LMNAPOLBADORA2BMAPT
SCHEMBL13944619 0.85 LMNA (0.81) SMN1; SMN2LMNAPOLBADORA2BMAPT
Water SCHEMBL10856780 0.84 LMNA (0.51) SMN1; SMN2LMNAPOLBADORA2BMEN1
(S)-Proxyphylline SCHEMBL35570 0.83 LMNA (1.00) SMN1; SMN2LMNAPOLBADORA2BMEN1
Proxyphylline SCHEMBL35569 0.83 LMNA (1.00) SMN1; SMN2LMNAPOLBADORA2BMEN1
SCHEMBL11601258 0.83 LMNA (0.78) SMN1; SMN2LMNAPOLBADORA2BMAPT
SCHEMBL11830512 0.82 LMNA (0.77) SMN1; SMN2LMNAPOLBADORA2BMAPT

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-0089028-B1 THEOPHYLLIN DERIVATIVES, AND PROCESS FOR THEIR PREPARATION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-05-25 EP disclosed