SCHEMBL30096059

SCHEMBL30096059

C=CCNC(=O)NC=C(C(C)=O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.50
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 2/20 0.41
NPSR1 Q6W5P4 5/20 0.39
GAA P10253 3/20 0.38
FAAH O00519 1/20 0.37
DHODH Q02127 2/20 0.37
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL27220600 0.81 ALDH1A1 (0.37) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL9777789 0.80 GLO1 (0.55) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL8394432 0.76 GLO1 (0.58) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL24170700 0.75 CYP2D6 (0.55) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL19398122 0.74 MAPT (0.57) GLO1ALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL9866335 0.73 EGLN1 (0.55) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL12896203 0.73 GLO1 (0.64) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL21475435 0.73 GLO1 (0.64) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL13898323 0.73 GLO1 (0.64) GLO1ALDH1A1SMN1; SMN2CYP2D6NPSR1
SCHEMBL16089858 0.72 MAPT (0.58) GLO1ALDH1A1SMN1; SMN2NPSR1GAA

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
CN-117597332-A Process for producing uracil compound 日本曹达株式会社 2024-02-23 CN disclosed
WO-2023286719-A1 METHOD FOR PRODUCING URACIL COMPOUND 日本曹達株式会社 2023-01-19 WO disclosed