SCHEMBL28919157

SCHEMBL28919157

O=C(O)c1ccc(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)o1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HTT P42858 2/20 0.55
▸ NR1H4 Q96RI1 1/20 0.49
▸ CNR1 P21554 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL29043226 0.91 KMT2A (0.56) POLBKMT2AHTTNR1H4CNR1
SCHEMBL28919050 0.87 HTT (0.54) POLBKMT2AHTTALDH1A1NPSR1
SCHEMBL28919048 0.86 ALDH1A1 (0.67) POLBKMT2AHTTCNR1ALDH1A1
SCHEMBL28919079 0.83 CNR1 (0.51) POLBKMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL28919028 0.78 PKM (0.51) POLBKMT2AHTTALDH1A1TDP1
SCHEMBL28919081 0.75 KMT2A (0.54) POLBKMT2ANR1H4CNR1
SCHEMBL546627 0.74 HTT (0.77) POLBHTTALDH1A1NPSR1KDM4E
SCHEMBL28961516 0.74 ALDH1A1 (0.66) POLBHTTALDH1A1NPSR1TSHR
SCHEMBL28919160 0.74 POLB (0.53) POLBKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3823611 0.74 HTT (0.70) POLBKMT2AHTTALDH1A1NPSR1

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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