SCHEMBL10859640

SCHEMBL10859640

CC(O)C(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
POLB P06746 2/20 0.71
ADORA2B P29275 9/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 2/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL683878 0.89 LMNA (0.80) LMNASMN1; SMN2POLBADORA2BMEN1
(S)-Proxyphylline SCHEMBL35570 0.89 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BMEN1
Proxyphylline SCHEMBL35569 0.89 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BMEN1
SCHEMBL13944619 0.87 LMNA (0.81) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL11611771 0.86 LMNA (0.60) LMNASMN1; SMN2POLBADORA2BMAPT
Isbufylline SCHEMBL678978 0.85 LMNA (0.78) LMNASMN1; SMN2POLBADORA2BMEN1
SCHEMBL11830512 0.84 LMNA (0.77) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL20161775 0.84 LMNA (0.77) LMNASMN1; SMN2POLBADORA2BMAPT
SCHEMBL17486883 0.84 LMNA (0.76) LMNASMN1; SMN2POLBADORA2BMAPT
Dyphylline SCHEMBL123781 0.83 LMNA (1.00) LMNASMN1; SMN2POLBADORA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4576947-A HYDROXYALKYLXANTHINES, INCREASING CEREBRAL BLOOD FLOW, BRONCHODILATORS HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-18 US disclosed
US-4515795-A INSUFFICIENCY OF CEREBRAL BLOOD FLOW HOECHST AKTIENGESELLSCHAFT (DE) 1985-05-07 US disclosed