SCHEMBL3248157

SCHEMBL3248157

CC(C)(N)c1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.68
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
KDM4E B2RXH2 1/20 0.49
UBE2N P61088 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
SCHEMBL14642142 0.81 HTR6 (1.00) HTR6HTR1AHTR7KDM4EUBE2N
SCHEMBL18125259 0.78 HTR6 (0.61) HTR6HTR1AHTR7KDM4EUBE2N
SCHEMBL22339784 0.77 KDM4E (0.66) HTR6KDM4EUBE2N
SCHEMBL5413550 0.75 KDM4E (0.63) HTR6KDM4EUBE2N
SCHEMBL3248158 0.75 HTR6 (1.00) HTR6HTR1AHTR7
SCHEMBL22339785 0.73 KDM4E (0.60) HTR6KDM4EUBE2N
SCHEMBL28528958 0.72 L3MBTL1 (0.61) HTR6KDM4EUBE2N
SCHEMBL13504568 0.70 HTR6 (0.48) HTR6HTR7
SCHEMBL5253195 0.70 HTR6 (1.00) HTR6HTR1A
SCHEMBL6089916 0.69 KDM4E (0.59) HTR6KDM4EUBE2N

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
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed