SCHEMBL28601960

SCHEMBL28601960

Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(OCc4ccccc4)c(OCc4ccccc4)c(OCc4ccccc4)c3)C(C(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA9 Q16790 4/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADAM17 P78536 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGDR Q13258 1/20 0.39
MAPT P10636 1/20 0.37
GLRA1 P23415 1/20 0.37
TGM2 P21980 3/20 0.37
F13A1 P00488 1/20 0.37
TGM1 P22735 1/20 0.37

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
SCHEMBL28618883 0.89 PTGES (0.47) CA1CA2CA4CA9KMT2A
SCHEMBL28919583 0.81 PTGES (0.46) CA1CA2CA4CA9KMT2A
SCHEMBL28599278 0.80 PTGES (0.45) CA1CA2CA4CA9MEN1
SCHEMBL28402744 0.77 LMNA (0.54) KMT2AL3MBTL1ALDH1A1
SCHEMBL28400696 0.75 LMNA (0.60) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL28606683 0.73 SPHK2 (0.42) CA1CA2CA4CA9SPHK2
SCHEMBL7893587 0.72 CA1 (0.62) CA1CA2CA4CA9MEN1
SCHEMBL28236200 0.71 KMT2A (0.64) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL29720703 0.70 CA2 (0.43) CA1CA2CA4CA9KMT2A
SCHEMBL28399007 0.70 TSHR (0.53) MEN1KMT2APOLBALDH1A1GLRA1

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-113105395-B 4-phenylsulfonyl-1-trihydroxy benzoyl piperazine-2-carboxamide derivative and preparation method and application thereof 山东大学 2022-06-17 CN claimed
CN-113105395-A 4-phenylsulfonyl-1-trihydroxy benzoyl piperazine-2-carboxamide derivative and preparation method and application thereof 山东大学 2021-07-13 CN claimed
CN-113105395-B 4-phenylsulfonyl-1-trihydroxy benzoyl piperazine-2-carboxamide derivative and preparation method and application thereof 山东大学 2022-06-17 CN disclosed
CN-113105395-A 4-phenylsulfonyl-1-trihydroxy benzoyl piperazine-2-carboxamide derivative and preparation method and application thereof 山东大学 2021-07-13 CN disclosed