SCHEMBL28919059

SCHEMBL28919059

COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 3/20 0.60
▸ POLB P06746 2/20 0.58
▸ PKM P14618 5/20 0.56
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL28919051 0.86 POLB (0.56) POLBMEN1KMT2ALMNAGLA
SCHEMBL28919016 0.85 PKLR (0.65) PKLRPOLBPKMMEN1KMT2A
SCHEMBL8658563 0.78 HPGD (0.68) POLBPKMKMT2ALMNAALDH1A1
SCHEMBL17800942 0.76 PKM (0.74) PKLRPOLBPKMLMNAHTT
SCHEMBL2239830 0.75 PKM (1.00) PKLRPOLBPKM
SCHEMBL7069343 0.75 F10 (0.61) PKMLMNAHTTGLAALDH1A1
SCHEMBL30080386 0.74 PKM (0.72) PKLRPOLBPKMLMNAHTT
SCHEMBL30080582 0.73 PKM (0.60) PKLRPOLBPKMMEN1KMT2A
SCHEMBL17808941 0.73 PKM (0.60) PKLRPOLBPKMALDH1A1
SCHEMBL28919041 0.73 KMT2A (0.60) PKLRPOLBPKMMEN1KMT2A

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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