SCHEMBL11757490

SCHEMBL11757490

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

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
POLB P06746 2/20 0.78
RXFP1 Q9HBX9 4/20 0.63
GAA P10253 1/20 0.63
ADORA2B P29275 5/20 0.62
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.58
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
Dyphylline SCHEMBL1816552 0.88 LMNA (1.00) LMNASMN1; SMN2POLBRXFP1GAA
Dyphylline SCHEMBL8192 0.88 LMNA (1.00) LMNASMN1; SMN2POLBRXFP1GAA
Dyphylline SCHEMBL123781 0.88 LMNA (1.00) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL10063431 0.88 LMNA (0.80) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL10768492 0.86 LMNA (0.78) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL11601258 0.86 LMNA (0.78) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL13944619 0.86 LMNA (0.81) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL5265296 0.85 LMNA (0.81) LMNASMN1; SMN2POLBRXFP1GAA
SCHEMBL11750405 0.85 LMNA (0.71) LMNASMN1; SMN2POLBRXFP1ADORA2B
Proxyphylline SCHEMBL35569 0.85 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
US-4060618-A Quaternary xanthinylalkyl nortropine DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-11-29 US disclosed