SCHEMBL28919066

SCHEMBL28919066

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.57
▸ ALDH1A1 P00352 4/20 0.52
▸ TSHR P16473 1/20 0.52
▸ GAA P10253 3/20 0.52
▸ PKM P14618 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 2/20 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
SCHEMBL28919072 0.87 PKM (0.55) CNR1ALDH1A1TSHRGAAPKM
SCHEMBL28919079 0.84 CNR1 (0.51) CNR1ALDH1A1TSHRPOLBKDM4E
SCHEMBL28919065 0.83 POLB (0.61) CNR1TSHRPOLBLMNAKMT2A
SCHEMBL28919081 0.81 KMT2A (0.54) CNR1POLBKMT2AMAPK1ATM
SCHEMBL28919039 0.78 CNR1 (0.53) CNR1ALDH1A1TSHRGAAPOLB
SCHEMBL30080625 0.75 ALDH1A1 (0.55) CNR1ALDH1A1TSHRGAAPKM
4-Methylbenzoic Acid SCHEMBL29043235 0.74 CXCR2 (0.48) CNR1ALDH1A1LMNAMAPTKMT2A
SCHEMBL17560192 0.74 SMN1; SMN2 (0.65) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL30080500 0.73 NR1H4 (0.58) CNR1ALDH1A1GAAPKMPOLB
SCHEMBL28919025 0.73 NR1H4 (0.58) CNR1ALDH1A1GAAPKMPOLB

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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