SCHEMBL28919078

SCHEMBL28919078

O=C(O)c1ccc(CCN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ MET P08581 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ IL1RN P18510 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39

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
SCHEMBL28919023 0.90 CNR1 (0.45) MEN1KMT2ACNR1TDP1AKR1C3
SCHEMBL28919080 0.88 PKM (0.48) MEN1KMT2AKCNH2HTR2AHTR2C
SCHEMBL28919081 0.82 KMT2A (0.54) MEN1KMT2ACNR1METKCNH2
SCHEMBL30080374 0.79 NR1H4 (0.54) CNR1TDP1AKR1C3AKR1C2POLB
SCHEMBL28919042 0.79 NR1H4 (0.54) CNR1TDP1AKR1C3AKR1C2POLB
SCHEMBL28919079 0.76 CNR1 (0.51) MEN1KMT2ACNR1KCNH2POLB
SCHEMBL7441288 0.74 ALDH1A1 (0.49) KMT2APOLBMAPT
SCHEMBL28919025 0.73 NR1H4 (0.58) MEN1KMT2ACNR1TDP1AKR1C3
SCHEMBL30080500 0.73 NR1H4 (0.58) MEN1KMT2ACNR1TDP1AKR1C3
SCHEMBL28919039 0.70 CNR1 (0.53) MEN1KMT2ACNR1POLBMAPT

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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