SCHEMBL15080486

SCHEMBL15080486

CNCc1cc(S(N)(=O)=O)ccc1Oc1ccc(SC)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.72
HRH3 Q9Y5N1 9/20 0.64
HTR2A P28223 2/20 0.52
KCNH2 Q12809 2/20 0.52
SLC6A3 Q01959 5/20 0.50
SLC6A2 P23975 4/20 0.50

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
SCHEMBL7970315 0.85 SLC6A4 (0.56) SLC6A4HRH3HTR2AKCNH2SLC6A3
Uk-390957 SCHEMBL931652 0.84 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A3SLC6A2
SCHEMBL6152231 0.84 SLC6A4 (0.57) SLC6A4HRH3HTR2AKCNH2SLC6A3
SCHEMBL3361902 0.84 SLC6A4 (0.76) SLC6A4HRH3HTR2AKCNH2SLC6A3
SCHEMBL7741453 0.83 SLC6A4 (0.59) SLC6A4HRH3HTR2AKCNH2SLC6A3
SCHEMBL7735932 0.81 SLC6A4 (0.63) SLC6A4HTR2AKCNH2SLC6A3SLC6A2
SCHEMBL6151338 0.80 SLC6A4 (1.00) SLC6A4HRH3HTR2AKCNH2SLC6A3
SCHEMBL7741889 0.79 SLC6A4 (0.57) SLC6A4HTR2AKCNH2
SCHEMBL6151957 0.78 SLC6A4 (0.71) SLC6A4HRH3HTR2AKCNH2SLC6A3
SCHEMBL6951883 0.78 SLC6A4 (0.71) SLC6A4HRH3HTR2AKCNH2SLC6A3

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-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed