SCHEMBL4313175

SCHEMBL4313175

O=S(=O)(Nc1cccc(-c2ccccc2)c1)c1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.57
HTR1A P08908 2/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
MCL1 Q07820 1/20 0.49
BACE1 P56817 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
HTR7 P34969 1/20 0.44
TRIM24 O15164 1/20 0.44

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
Hydrochloric Acid SCHEMBL27603115 0.98 HTR6 (0.55) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL4319574 0.92 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3609792 0.90 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL30735820 0.90 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL6047117 0.88 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1379250 0.87 HTR6 (0.58) HTR6
SCHEMBL3619625 0.85 HTR6 (0.54) HTR6TRIM24
SCHEMBL1380651 0.85 HTR6 (0.60) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1382000 0.84 HTR6 (0.53) HTR6TRIM24
SCHEMBL1377896 0.84 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BHTR2A

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
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US claimed