SCHEMBL28113720

SCHEMBL28113720

Nc1ccc(S(=O)(=O)NCc2ccccc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.56
CA1 P00915 7/20 0.56
CA2 P00918 7/20 0.56
CA9 Q16790 7/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CA4 P22748 1/20 0.56
PRMT1 Q99873 2/20 0.55
HPGD P15428 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL29128000 0.84 KMT2A (0.72) CA12CA9HPGDL3MBTL1KMT2A
SCHEMBL28113175 0.81 POLB (0.68) CA12CA1CA2CA9CA6
SCHEMBL29258799 0.81 LMNA (0.60) CA12CA1CA2CA9CA6
SCHEMBL29258301 0.81 CYP19A1 (0.59) CA12CA1CA2CA9CA6
SCHEMBL28113723 0.79 CA2 (0.63) CA12CA1CA2CA9CA6
SCHEMBL27639289 0.78 PRMT1 (0.51) CA12CA1CA2CA9CA6
SCHEMBL5466124 0.78 LMNA (0.70) KMT2AMEN1GAAPOLB
SCHEMBL151655 0.77 KEAP1 (0.76) CA12CA1CA2CA9CA6
SCHEMBL28836818 0.74 CA1 (0.73) CA12CA1CA2CA9CA6
SCHEMBL29540801 0.74 KEAP1 (0.70) CA12CA1CA2CA9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108664-A NAMPT agonist and preparation method and application thereof 中国人民解放军海军军医大学 2024-05-31 CN disclosed
CN-106146358-B Method for synthesizing amino- (N-alkyl) benzene sulfonamide 南京理工大学 2018-01-23 CN disclosed
CN-106146358-A Method for synthesizing amino- (N-alkyl) benzene sulfonamide 南京理工大学 2016-11-23 CN disclosed