SCHEMBL4319574

SCHEMBL4319574

O=S(=O)(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.56
HTR1A P08908 2/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
BACE1 P56817 1/20 0.48
RORC P51449 1/20 0.47
MCL1 Q07820 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HTR7 P34969 1/20 0.43

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 0.93 HTR6 (0.55) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL4313175 0.92 HTR6 (0.57) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL30735820 0.89 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3609792 0.89 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL6047117 0.87 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1380982 0.84 HTR6 (0.57) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3617611 0.84 HTR6 (0.57) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL1380651 0.84 HTR6 (0.60) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1376887 0.83 HTR6 (0.56) HTR6HTR1AHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL6047112 0.83 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 disclosed