SCHEMBL30096052

SCHEMBL30096052

CCOC(=O)C(=CNC(N)=O)C(C)=NOC(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DHODH Q02127 2/20 0.34
HPGD P15428 1/20 0.33
GAA P10253 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL27220599 0.85 GLO1 (0.41) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL27220600 0.81 ALDH1A1 (0.37) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL26084789 0.79 CYP2D6 (0.56) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL8394432 0.78 GLO1 (0.58) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL8399690 0.73 CYP2D6 (0.46) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL30096086 0.73 CA1 (0.39) SMN1; SMN2
SCHEMBL3699121 0.71 GLO1 (0.42) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL8694370 0.71 CYP2D6 (0.44) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL9326451 0.67 CYP2D6 (0.58) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT
SCHEMBL9064338 0.66 ALDH1A1 (0.41) GLO1ALDH1A1CYP2D6SMN1; SMN2MAPT

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
WO-2023286719-A1 METHOD FOR PRODUCING URACIL COMPOUND 日本曹達株式会社 2023-01-19 WO disclosed