SCHEMBL28777651

SCHEMBL28777651

C=CC(c1ccc(CN)cc1)S(=O)(=O)n1ccc2c(Br)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ HDAC3 O15379 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
SCHEMBL28777481 0.86 HDAC3 (0.35) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28777649 0.72 HTR6 (0.36) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28755539 0.67 HTR6 (0.53) HTR6HTR1AHTR7
SCHEMBL28750987 0.67 HTT (0.46) HTR6CYP3A4CYP2D6HDAC3HDAC4
SCHEMBL30559967 0.66 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL17394039 0.66 HTR6 (0.63) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL28818277 0.65 PSIP1 (0.35) CA1CA2CA12CA4CA6
SCHEMBL260867 0.63 HTR6 (0.68) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL30644286 0.63 HTR6 (0.68) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4023676 0.60 KDM4E (0.51) HTR6HTR1AHTR1DHTR1BHTR1F

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-101484420-A Indoles as 5-HT 6 modulators BIOVITRUM AB PUBL (SE) 2009-07-15 — — CN disclosed
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