SCHEMBL29043239

SCHEMBL29043239

Cc1nc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)sc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 11/20 0.51
▸ PKLR P30613 4/20 0.51
▸ PIK3CD O00329 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PIK3CB P42338 1/20 0.51
▸ MAPT P10636 5/20 0.46
▸ TP53 P04637 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL29043227 0.88 PIK3CD (0.52) PKMPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL28919047 0.77 PKM (0.54) PKMPKLRMAPTRAB9AKMT2A
SCHEMBL28919064 0.77 HDAC3 (0.57) PKMPKLR
SCHEMBL28592201 0.74 PKM (0.46) PKMPKLRMAPTTP53RAB9A
SCHEMBL13787617 0.72 PIK3CD (0.74) PKMPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL28919030 0.72 HDAC3 (0.54) PKMPKLRMAPTTP53KMT2A
SCHEMBL28919018 0.72 THRB (0.51) PKMPKLRMAPTTP53KMT2A
SCHEMBL2239830 0.71 PKM (1.00) PKMPKLRRAB9A
SCHEMBL3015551 0.71 AR (0.53) PKMPKLRMAPTRAB9AKMT2A
SCHEMBL28919074 0.71 PKM (0.62) PKMPKLRMAPT

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 1 patent. 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
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