SCHEMBL31040348

SCHEMBL31040348

Cc1c(S)[nH]c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.52
ATAD2 Q6PL18 1/20 0.36
GDA Q9Y2T3 1/20 0.35
CA1 P00915 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
NPC1 O15118 1/20 0.31
PNP P00491 1/20 0.31

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
SCHEMBL1445690 0.72 TYMP (0.56) TYMPATAD2GDACA1NPC1
SCHEMBL12263023 0.72 GDA (0.38) TYMPGDAPNP
SCHEMBL31376425 0.70 TYMP (0.54) TYMPATAD2GDACA1HCAR2
SCHEMBL15444623 0.68 TYMP (0.41) TYMPGDAPNP
SCHEMBL1228773 0.68 TYMP (1.00) TYMPATAD2GDACA1HCAR2
SCHEMBL5259684 0.68 TYMP (0.52) TYMP
SCHEMBL13436880 0.68 TYMP (0.41) TYMPATAD2GDACA1NPC1
SCHEMBL7239817 0.65 TYMP (0.48) TYMPATAD2GDACA1NPC1
SCHEMBL7834837 0.64 TYMP (0.46) TYMPATAD2GDA
SCHEMBL6570508 0.64 TYMP (0.46) TYMPATAD2

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-118922409-A Asymmetric piperazine-based cationic lipids 翻译生物公司 2024-11-08 CN disclosed
CN-118256453-A Scalable manufacturing method for producing recombinant lentiviral vectors in serum-free suspension cell culture systems 费城儿童医院 2024-06-28 CN disclosed