SCHEMBL29133840

SCHEMBL29133840

O=S(=O)(O)CC/N=C\c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
NPFFR2 Q9Y5X5 2/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PYGL P06737 8/20 0.42
ALDH1A1 P00352 1/20 0.42
G6PC1 P35575 1/20 0.39
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL29133842 1.00 CA2 (0.45) CA2NPFFR2KMT2ANPSR1PYGL
SCHEMBL29133860 0.79 CA2 (0.54) CA2KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL29133863 0.79 CA2 (0.54) CA2KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL29133872 0.78 CA2 (0.45) CA2KMT2AALDH1A1MAPT
SCHEMBL29133871 0.78 CA2 (0.45) CA2KMT2AALDH1A1MAPT
SCHEMBL29133859 0.77 CA2 (0.73) CA2KMT2AALDH1A1SMN1; SMN2PTGS2
SCHEMBL29133855 0.77 CA2 (0.73) CA2KMT2AALDH1A1SMN1; SMN2PTGS2
SCHEMBL29133832 0.76 CA2 (0.53) CA2KMT2ANPSR1ALDH1A1NPC1
SCHEMBL29133829 0.76 CA2 (0.53) CA2KMT2ANPSR1ALDH1A1NPC1
SCHEMBL29133869 0.75 PTGS2 (0.51) CA2ALDH1A1NPC1RAB9ASMN1; SMN2

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