SCHEMBL30547366

SCHEMBL30547366

COC(=O)c1ncccc1S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ACLY P53396 1/20 0.51
ALDH1A1 P00352 3/20 0.45
SLC40A1 Q9NP59 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
VCAM1 P19320 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
HTT P42858 2/20 0.42
MAP2K1 Q02750 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL5700122 1.00 L3MBTL1 (0.55) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL12378236 0.87 L3MBTL1 (0.55) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL22827577 0.85 CA1 (0.57) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL12378235 0.85 L3MBTL1 (0.54) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL29910209 0.85 CA1 (0.57) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL20787063 0.84 L3MBTL1 (0.53) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL30547377 0.84 L3MBTL1 (0.53) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL22827859 0.83 L3MBTL1 (0.51) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL9301715 0.81 ACLY (0.50) L3MBTL1ACLYALDH1A1SLC40A1TDP1
SCHEMBL18784146 0.81 PABPC1 (0.40) L3MBTL1ACLYALDH1A1PABPC1EIF4H

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-116529240-A Nitrogen-containing condensed heterocyclic compound having oxime group, agrohorticultural herbicide containing the same and method of using the same 日本农药株式会社 2023-08-01 CN disclosed