SCHEMBL29133832

SCHEMBL29133832

O=S(=O)(O)CCN=Cc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.53
CA1 P00915 5/20 0.41
CA9 Q16790 4/20 0.41
CA7 P43166 1/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 2/20 0.38
MEN1 O00255 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29133829 1.00 CA2 (0.53) CA2CA1CA9CA7KMT2A
SCHEMBL29133855 0.84 CA2 (0.73) CA2CA1CA9CA7KMT2A
SCHEMBL29133859 0.84 CA2 (0.73) CA2CA1CA9CA7KMT2A
SCHEMBL17084272 0.79 KMT2A (0.47) CA2CA1CA9CA7KMT2A
SCHEMBL29133831 0.79 CA2 (0.56) CA2CA1CA9KMT2ASMN1; SMN2
SCHEMBL29133834 0.79 CA2 (0.56) CA2CA1CA9KMT2ASMN1; SMN2
SCHEMBL29133874 0.78 CA2 (0.50) CA2CA1CA9KMT2ASMN1; SMN2
SCHEMBL29133878 0.78 CA2 (0.50) CA2CA1CA9KMT2ASMN1; SMN2
SCHEMBL29133863 0.77 CA2 (0.54) CA2CA1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29133860 0.77 CA2 (0.54) CA2CA1KMT2ASMN1; SMN2ALDH1A1

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