SCHEMBL30080582

SCHEMBL30080582

O=C(O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.60
▸ PKLR P30613 2/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ HTT P42858 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ POLB P06746 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ USP2 O75604 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL30080684 0.85 POLB (0.60) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL30080392 0.84 PKM (0.60) PKMPKLRKMT2ATSHRSMN1; SMN2
SCHEMBL28919016 0.83 PKLR (0.65) PKMPKLRMEN1KMT2AHTT
SCHEMBL17800942 0.82 PKM (0.74) PKMPKLRHTTPOLBLMNA
SCHEMBL16026538 0.78 ALDH1A1 (0.79) MEN1KMT2AHTTTSHRSMN1; SMN2
SCHEMBL2239830 0.78 PKM (1.00) PKMPKLRPOLB
SCHEMBL30080386 0.77 PKM (0.72) PKMPKLRHTTPOLBLMNA
SCHEMBL14778164 0.77 PKLR (0.51) PKMPKLRMEN1KMT2AKDM4E
SCHEMBL19871301 0.75 PKM (0.79) PKMPKLRPOLBLMNAALDH1A1
SCHEMBL28919059 0.73 PKLR (0.60) PKMPKLRMEN1KMT2AHTT

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-A Benzenesulfonyl piperazine compound and medical application thereof 河北省人民医院 2022-12-27 — — CN disclosed
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