SCHEMBL28919018

SCHEMBL28919018

CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MAPT P10636 3/20 0.50
▸ OGA O60502 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL28919024 0.89 POLB (0.49) THRBTP53MAPTOGAKDM4E
SCHEMBL28919047 0.84 PKM (0.54) MAPTALDH1A1PKMPKLRKMT2A
SCHEMBL3000559 0.77 LMNA (0.59) THRBMAPTALDH1A1HSD17B10PKM
SCHEMBL3018745 0.77 PKM (0.47) MAPTALDH1A1HSD17B10PKMPKLR
SCHEMBL28919041 0.77 KMT2A (0.60) THRBTP53MAPTPKMPKLR
SCHEMBL10466693 0.77 OGA (0.56) MAPTOGAALDH1A1HPGDPKM
SCHEMBL7185606 0.77 ALDH1A1 (0.62) MAPTOGAKDM4EALDH1A1HPGD
SCHEMBL3008963 0.77 LMNA (0.56) MAPTALDH1A1HSD17B10PKMPKLR
SCHEMBL28603507 0.76 THRB (0.53) THRBTP53MAPTPKMPKLR
SCHEMBL3015551 0.76 AR (0.53) MAPTALDH1A1HSD17B10PKMPKLR

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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