SCHEMBL30080496

SCHEMBL30080496

O=C(O)c1ccccc1N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.54
▸ CNR1 P21554 1/20 0.52
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ENPP2 Q13822 2/20 0.46
▸ HSD11B1 P28845 1/20 0.46

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
SCHEMBL2959432 0.86 CHRM4 (0.52) LMNAMAPTKMT2AHDAC3HDAC4
SCHEMBL30080392 0.85 PKM (0.60) LMNAKMT2AHDAC3HDAC4HDAC1
SCHEMBL30080684 0.84 POLB (0.60) CNR1KMT2APOLBATMKDM4E
SCHEMBL30080500 0.80 NR1H4 (0.58) NR1H4CNR1LMNAMAPTKMT2A
SCHEMBL28919025 0.80 NR1H4 (0.58) NR1H4CNR1LMNAMAPTKMT2A
SCHEMBL8048603 0.79 ALDH1A1 (0.61) KMT2APOLBENPP2ALDH1A1USP2
SCHEMBL2953334 0.78 ALDH1A1 (0.56) CNR1LMNAKMT2APOLBKDM4E
SCHEMBL28919039 0.77 CNR1 (0.53) NR1H4CNR1LMNAMAPTKMT2A
SCHEMBL30080374 0.76 NR1H4 (0.54) NR1H4CNR1MAPTHDAC3HDAC4
SCHEMBL28919042 0.76 NR1H4 (0.54) NR1H4CNR1MAPTHDAC3HDAC4

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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