Sugi Predict

Sugi Predict / Compounds / SCHEMBL4055075

SCHEMBL4055075

SCHEMBL4055075

CN(CCCN1c2cccc(F)c2N(c2ccccc2)S1(=O)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 20/20 0.43
▸ SLC6A3 Q01959 8/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ SLC6A4 P31645 5/20 0.42

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
SCHEMBL4061994 0.91 SLC6A2 (0.43) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4055078 0.90 SLC6A2 (0.35) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4940924 0.87 SLC6A2 (0.39) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4058530 0.86 SLC6A2 (0.53) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4053692 0.85 SLC6A2 (0.45) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4062000 0.85 KDM4E (0.38) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4940929 0.85 SLC6A2 (0.40) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4061456 0.83 SLC6A2 (0.41) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4060071 0.80 SLC6A2 (0.46) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4064707 0.80 SLC6A2 (0.51) SLC6A2SLC6A3KCNH2SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 — — EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 — — WO disclosed