SCHEMBL28919047

SCHEMBL28919047

O=C(O)c1csc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 11/20 0.54
▸ PKLR P30613 4/20 0.54
▸ PTGER1 P34995 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ AR P10275 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL28919038 0.87 CNR1 (0.47) PTGER1ALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL28919018 0.84 THRB (0.51) PKMPKLRALDH1A1SMN1; SMN2KMT2A
SCHEMBL3005812 0.81 LMNA (0.67) PKMPKLRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2949892 0.79 CHRM4 (0.49) PTGER1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3015815 0.79 PKM (0.50) PKMPKLRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3015551 0.77 AR (0.53) PKMPKLRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3011202 0.77 ALDH1A1 (0.60) PKMPKLRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29043239 0.77 PKM (0.51) PKMPKLRKMT2ALMNAMAPT
SCHEMBL28919064 0.77 HDAC3 (0.57) PKMPKLR
SCHEMBL3013174 0.76 SMN1; SMN2 (0.62) PKMPKLRALDH1A1SMN1; SMN2L3MBTL1

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-115521272-B Benzenesulfonyl piperazine compound and medical application thereof 河北省人民医院 2023-07-21 — — CN disclosed
CN-115521272-A Benzenesulfonyl piperazine compound and medical application thereof 河北省人民医院 2022-12-27 — — CN disclosed
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