SCHEMBL28985685

SCHEMBL28985685

Cc1cn(CCC(=O)N(S)S)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TYMP P19971 1/20 0.50
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
TK1 P04183 2/20 0.43
TK2 O00142 1/20 0.43

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
SCHEMBL28985698 0.85 MAPK1 (0.49) TYMPMAPK1HPGDTK1
SCHEMBL2153004 0.81 TYMP (0.55) LMNATYMPMAPK1HPGDTK1
SCHEMBL21695505 0.81 LMNA (0.74) LMNATYMPMAPK1HPGDTK1
SCHEMBL13724897 0.80 TYMP (0.54) LMNATYMPMAPK1HPGDTK1
SCHEMBL2153546 0.79 LMNA (0.56) LMNATYMPMAPK1HPGDTK1
SCHEMBL16260033 0.76 TYMP (0.50) LMNATYMPMAPK1HPGDTK1
SCHEMBL23453029 0.76 TYMP (0.59) TYMPMAPK1HPGDTK1TK2
SCHEMBL4194710 0.76 MAPK1 (0.56) LMNATYMPMAPK1HPGDTK1
SCHEMBL4261186 0.76 MAPK1 (0.56) TYMPMAPK1HPGDTK1TK2
SCHEMBL8143319 0.76 TK2 (0.54) TYMPHPGDTK1TK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960480-B Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-09-12 CN claimed
CN-115960480-A Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-04-14 CN claimed
CN-115960480-B Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-09-12 CN disclosed