SCHEMBL30080265

SCHEMBL30080265

O=C(O)c1ccc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 10/20 0.54
▸ PKLR P30613 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.42
▸ IL1RN P18510 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TTR P02766 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
SCHEMBL28919060 1.00 PKM (0.54) PKMPKLRALDH1A1SMN1; SMN2LMNA
SCHEMBL30080374 0.87 NR1H4 (0.54) PKMALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL28919042 0.87 NR1H4 (0.54) PKMALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL28919037 0.84 MAPT (0.52) PKMPKLRALDH1A1SMN1; SMN2LMNA
SCHEMBL28919074 0.80 PKM (0.62) PKMPKLRALDH1A1POLBMAPT
SCHEMBL28919080 0.79 PKM (0.48) PKMPKLRALDH1A1POLB
SCHEMBL28919025 0.77 NR1H4 (0.58) PKMALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL30080392 0.77 PKM (0.60) PKMPKLRALDH1A1SMN1; SMN2LMNA
SCHEMBL30080500 0.77 NR1H4 (0.58) PKMALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL28919016 0.75 PKLR (0.65) PKMPKLRALDH1A1SMN1; SMN2LMNA

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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