SCHEMBL29135022

SCHEMBL29135022

O=C(O)CCOn1ccnc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.78
EGLN3 Q9H6Z9 1/20 0.50
TBXAS1 P24557 14/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL29134661 0.89 TDP1 (0.90) TDP1EGLN3TBXAS1ALDH1A1
SCHEMBL5851658 0.88 TDP1 (1.00) TDP1EGLN3TBXAS1
SCHEMBL27643532 0.76
SCHEMBL27879902 0.75 TDP1 (0.54) TDP1EGLN3TBXAS1ALDH1A1
Acetic Acid SCHEMBL28075176 0.74 TDP1 (0.54) TDP1EGLN3TBXAS1ALDH1A1
SCHEMBL3847807 0.74
SCHEMBL5515518 0.74 TDP1 (0.44) TDP1EGLN3ALDH1A1
SCHEMBL19003824 0.72
SCHEMBL29121165 0.72 TDP1 (0.56) TDP1EGLN3TBXAS1ALDH1A1
Acetamide SCHEMBL21816464 0.72 TDP1 (0.58) TDP1EGLN3TBXAS1

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
CN-117343100-A Preparation method of imidazole bisphosphate medicine 山西工学院 2024-01-05 CN disclosed