SCHEMBL3962939

SCHEMBL3962939

Cc1ccc(S(=O)(=O)Oc2cccc3c(S(=O)(=O)Nc4ccc5[nH]cc(CCN(C)C)c5c4)cccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.67
HTR7 P34969 1/20 0.52
HTR5A P47898 1/20 0.52
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 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
SCHEMBL3959134 0.86 HTR6 (0.76) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL3961704 0.81 HTR6 (0.80) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL3961658 0.81 HTR6 (0.73) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL3964605 0.81 HTR6 (0.79) HTR6HTR7HTR5A
SCHEMBL3155934 0.81 HTR6 (0.82) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL3147543 0.81 HTR6 (1.00) HTR6HTR7HTR5A
SCHEMBL3957586 0.80 HTR6 (0.77) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL3966032 0.78 HTR6 (0.73) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL3965872 0.77 HTR6 (0.75) HTR6HTR7HTR5AHTR1AHTR1D
SCHEMBL3148443 0.75 HTR6 (0.82) HTR6HTR7HTR5A

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
WO-2009036955-A1 NAPHTYL-SUBSTITUTED SULFONAMIDES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-26 WO disclosed
EP-2036888-A1 Naphthyl-substituted sulfonamides Laboratorios del Dr. Esteve S.A. (ES) 2009-03-18 EP disclosed