SCHEMBL31469877

SCHEMBL31469877

C=Cc1cc(C)ccc1S(=O)(=O)Oc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.34
F2 P00734 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RY2 P41231 2/20 0.32
GPR17 Q13304 2/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
G6PD P11413 1/20 0.31

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
SCHEMBL31469862 0.89 PPARG (0.45) MAOBALDH1A1PPARGLMNAHPGD
SCHEMBL31469876 0.85 LMNA (0.43) ALDH1A1PPARGLMNAHTTMEN1
SCHEMBL31469867 0.82 LMNA (0.47) ALDH1A1PPARGLMNAF2HTT
SCHEMBL31469870 0.77 LMNA (0.43) ALDH1A1PPARGLMNATDP1MEN1
SCHEMBL31469859 0.77 LMNA (0.43) ALDH1A1LMNAMEN1KMT2A
SCHEMBL31469861 0.76 CA1 (0.45) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL4862211 0.76 MAPT (0.35) ALDH1A1MAPK1LMNAHPGDF2
SCHEMBL17287654 0.75 ALDH1A1 (0.52) MAOBALDH1A1LMNAHPGDHTT
SCHEMBL31469879 0.75 ALDH1A1 (0.44) ALDH1A1MAPK1LMNAHPGDF2
SCHEMBL31469857 0.74 LMNA (0.41) ALDH1A1LMNAF2MAPT

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-119710735-A Method for electrochemically synthesizing vinyl sulfonate compound 广西师范大学 2025-03-28 CN disclosed