SCHEMBL25398658

SCHEMBL25398658

Cc1nc(C)c(COCC=O)s1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
PDE10A Q9Y233 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL25399329 0.78 ALDH1A1 (0.31) SLC6A3ALDH1A1GAAPDE10A
SCHEMBL4435329 0.75 SLC6A3 (0.39) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL791978 0.72 PDE10A (0.41) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL30598378 0.71 PDE10A (0.35) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL30598377 0.71 PDE10A (0.35) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL30598371 0.71 PDE10A (0.35) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL26113843 0.71 PDE10A (0.40) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL27074576 0.71 PDE10A (0.36) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL5542861 0.70 SLC6A3 (0.36) SLC6A3ALDH1A1GAAPDE10ATP53
SCHEMBL26113532 0.70 PDE10A (0.35) SLC6A3ALDH1A1GAAPDE10A

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
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed