SCHEMBL28919039

SCHEMBL28919039

O=C(O)c1ccc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ RORC P51449 2/20 0.46
▸ RARG P13631 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ENPP2 Q13822 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
SCHEMBL2953334 0.85 ALDH1A1 (0.56) CNR1LMNATHRBGAAALDH1A1
SCHEMBL28919074 0.85 PKM (0.62) GAAALDH1A1MAPTTSHRPOLB
SCHEMBL29043230 0.84 MAPT (0.55) CNR1LMNATHRBGAAALDH1A1
SCHEMBL28919025 0.84 NR1H4 (0.58) CNR1NR1H4LMNAGAAALDH1A1
SCHEMBL30080500 0.84 NR1H4 (0.58) CNR1NR1H4LMNAGAAALDH1A1
SCHEMBL28919065 0.83 POLB (0.61) CNR1LMNATSHRPOLBATM
SCHEMBL28919053 0.81 MAPT (0.61) LMNATHRBALDH1A1MAPTPOLB
SCHEMBL10901539 0.81 GCK (0.61) LMNAGAAALDH1A1MAPTTSHR
SCHEMBL28919079 0.81 CNR1 (0.51) CNR1LMNAALDH1A1TSHRPOLB
SCHEMBL10901819 0.81 HSD11B1 (0.64) LMNATHRBGAAALDH1A1MAPT

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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