SCHEMBL28326313

SCHEMBL28326313

CN(C)c1ccccc1S(=O)(=O)O.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.58
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
MYC P01106 1/20 0.43
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
TTR P02766 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL6265807 0.98 HTR6 (0.60) HTR6TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL3971963 0.82 HTR6 (0.56) HTR6TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL2131462 0.81 CA2 (0.67) TSHRCA2F2PRSS1PRSS2
SCHEMBL5485813 0.81 HTR6 (0.44) HTR6TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL3987154 0.79 HTR6 (0.41) HTR6TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL8916208 0.79 HTR6 (0.44) HTR6TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL133520 0.79 CA2 (0.69) TSHRCA2F2PRSS1PRSS2
SCHEMBL29941705 0.79 CA2 (0.69) TSHRCA2F2PRSS1PRSS2
SCHEMBL29367067 0.79 CA2 (0.69) TSHRCA2F2PRSS1PRSS2
SCHEMBL15136283 0.78 HTR6 (0.45) HTR6TSHRALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108212030-B Aluminum sol and preparation method thereof 广东邦普循环科技有限公司 2021-02-19 CN disclosed
CN-110407976-A A kind of iron ion imprinted polymer and its preparation method and application INST PROCESS ENG CAS 2019-11-05 CN disclosed