SCHEMBL28919041

SCHEMBL28919041

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.60
▸ THRB P10828 2/20 0.55
▸ MAPT P10636 5/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ PKM P14618 1/20 0.52
▸ PKLR P30613 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPSR1 Q6W5P4 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
SCHEMBL28919053 0.87 MAPT (0.61) KMT2ATHRBMAPTCYP2C9TP53
SCHEMBL28919037 0.83 MAPT (0.52) THRBMAPTCYP2C9TP53PKM
SCHEMBL10902432 0.82 CYP2C9 (0.67) KMT2ACYP2C9LMNAMEN1POLB
SCHEMBL28919074 0.82 PKM (0.62) MAPTPKMPKLRPOLB
SCHEMBL10900999 0.80 CYP2C9 (0.71) KMT2ACYP2C9MEN1POLBNPSR1
SCHEMBL20188098 0.80 HPGD (0.65) KMT2AMAPTCYP2C9LMNAMEN1
SCHEMBL22015905 0.80 HPGD (0.65) KMT2AMAPTCYP2C9LMNAMEN1
SCHEMBL2943824 0.79 KMT2A (0.61) KMT2AMAPTTP53LMNAMEN1
SCHEMBL10901799 0.78 CYP2C9 (0.68) KMT2AMAPTCYP2C9MEN1POLB
SCHEMBL28919018 0.77 THRB (0.51) KMT2ATHRBMAPTTP53PKM

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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