SCHEMBL28113867

SCHEMBL28113867

Nc1ccc(S(=O)(=O)NCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.64
CA2 P00918 8/20 0.64
CA9 Q16790 7/20 0.64
CA12 O43570 7/20 0.64
CA7 P43166 3/20 0.64
CA6 P23280 2/20 0.64
CA5A P35218 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
CA4 P22748 1/20 0.64
NAMPT P43490 1/20 0.57
ALDH1A1 P00352 2/20 0.52
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP14 P50281 1/20 0.51
ADAM17 P78536 1/20 0.51
FFAR4 Q5NUL3 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL5597899 0.86 ALDH1A1 (0.72) CA9CA12NAMPTALDH1A1MMP1
SCHEMBL3913276 0.86 NAMPT (0.57) CA1CA2CA9CA12CA7
SCHEMBL28004245 0.86 ALDH1A1 (0.72) CA9CA12NAMPTALDH1A1MMP1
SCHEMBL5518065 0.85 KEAP1 (0.65) CA1CA2CA9CA12NAMPT
SCHEMBL18450372 0.85 ALDH1A1 (0.68) CA1CA2CA9CA12NAMPT
SCHEMBL13972833 0.83 NAMPT (0.55) CA1CA2CA9CA12CA7
SCHEMBL13959238 0.83 NAMPT (0.55) CA1CA2CA9NAMPTALDH1A1
SCHEMBL14196598 0.82 CA2 (0.68) CA1CA2CA9CA12CA7
SCHEMBL4915517 0.82 ALDH1A1 (0.76) CA1CA2CA9CA12CA7
SCHEMBL4686625 0.79 ALDH1A1 (0.70) CA1CA2CA9CA12CA7

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-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