SCHEMBL31357368

SCHEMBL31357368

COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.52
CA1 P00915 4/20 0.52
CA9 Q16790 3/20 0.52
CA5A P35218 1/20 0.52
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
CA14 Q9ULX7 3/20 0.39
CA12 O43570 2/20 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
SCHEMBL5412365 1.00 CA2 (0.52) CA2CA1CA9CA5AKMT2A
SCHEMBL5400035 0.86 KMT2A (0.46) CA2CA1CA9CA5AKMT2A
SCHEMBL19066302 0.86 KMT2A (0.55) CA2CA1CA9CA5AKMT2A
SCHEMBL7933510 0.84 CA2 (0.52) CA2CA1CA9CA5AKMT2A
SCHEMBL5411841 0.83 KDM4E (0.53) KMT2AALDH1A1GAAKDM4EHSD17B10
SCHEMBL28483919 0.83 CA2 (0.55) CA2CA1CA9CA5AALDH1A1
SCHEMBL18896036 0.83 KMT2A (0.43) KMT2AALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL29253953 0.83 CA2 (0.58) CA2CA1CA9CA5AALDH1A1
SCHEMBL22010625 0.82 CA2 (0.56) CA2CA1CA9CA5AALDH1A1
SCHEMBL3650025 0.81 KMT2A (0.55) KMT2AALDH1A1GAAKDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539165-B Methyl disulfonic acid Process for preparing long 江苏瑞邦农化股份有限公司 2025-02-14 CN claimed
CN-114539165-B Methyl disulfonic acid Process for preparing long 江苏瑞邦农化股份有限公司 2025-02-14 CN disclosed
CN-114539165-B Methyl disulfonic acid Process for preparing long 江苏瑞邦农化股份有限公司 2025-02-14 CN disclosed
CN-113999179-B Method for synthesizing mesosulfuron by one-pot method 江苏省农用激素工程技术研究中心有限公司 2025-02-07 CN disclosed