SCHEMBL29133872

SCHEMBL29133872

Cc1ccc(C=NCCS(=O)(=O)O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.45
CA1 P00915 4/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
CA7 P43166 2/20 0.35
TUBB1 Q9H4B7 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
SHBG P04278 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL29133871 1.00 CA2 (0.45) CA2CA1CA9CA12ALDH1A1
SCHEMBL29133860 0.79 CA2 (0.54) CA2CA1ALDH1A1KMT2ALMNA
SCHEMBL29133863 0.79 CA2 (0.54) CA2CA1ALDH1A1KMT2ALMNA
SCHEMBL29133840 0.78 CA2 (0.45) CA2ALDH1A1KMT2AMAPT
SCHEMBL29133842 0.78 CA2 (0.45) CA2ALDH1A1KMT2AMAPT
SCHEMBL29133869 0.78 PTGS2 (0.51) CA2CA9CA12ALDH1A1LMNA
SCHEMBL29133859 0.77 CA2 (0.73) CA2CA1CA9CA12ALDH1A1
SCHEMBL29133855 0.77 CA2 (0.73) CA2CA1CA9CA12ALDH1A1
SCHEMBL29133832 0.76 CA2 (0.53) CA2CA1CA9CA12ALDH1A1
SCHEMBL29133829 0.76 CA2 (0.53) CA2CA1CA9CA12ALDH1A1

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-116982622-A Taurine derivative plant growth regulator and application thereof 河南沐天农业科技有限公司 2023-11-03 CN claimed