SCHEMBL11305096

SCHEMBL11305096

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ LMNA P02545 4/20 0.71
▸ POLB P06746 2/20 0.71
▸ RXFP1 Q9HBX9 4/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ GAA P10253 1/20 0.58
▸ ADORA2B P29275 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54

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
SCHEMBL5265296 0.86 LMNA (0.81) SMN1; SMN2LMNAPOLBRXFP1GAA
SCHEMBL11308689 0.84 MAPK1 (0.61) SMN1; SMN2LMNAPOLBRXFP1MAPK1
Dyphylline SCHEMBL123781 0.83 LMNA (1.00) SMN1; SMN2LMNAPOLBRXFP1GAA
SCHEMBL10063431 0.83 LMNA (0.80) SMN1; SMN2LMNAPOLBRXFP1GAA
Dyphylline SCHEMBL1816552 0.83 LMNA (1.00) SMN1; SMN2LMNAPOLBRXFP1GAA
Dyphylline SCHEMBL8192 0.83 LMNA (1.00) SMN1; SMN2LMNAPOLBRXFP1GAA
SCHEMBL10967382 0.83 MAPK1 (0.82) SMN1; SMN2LMNAPOLBRXFP1MAPK1
SCHEMBL11601258 0.82 LMNA (0.78) SMN1; SMN2LMNAPOLBRXFP1GAA
SCHEMBL10768492 0.82 LMNA (0.78) SMN1; SMN2LMNAPOLBRXFP1GAA
SCHEMBL11757490 0.82 LMNA (0.78) SMN1; SMN2LMNAPOLBRXFP1GAA

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
JP-56145287-A — — None — — JP disclosed
JP-S56145287-A XANTHINE DERIVATIVE AND ITS PREPARATION NIPPON IYAKUHIN KAIHATSU KENKYUSHO:KK 1981-11-11 — — JP disclosed
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