SCHEMBL6938248

SCHEMBL6938248

CCCCCCS(=O)(=O)c1cc(CC)c(C(=O)N=C(N)N)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
SLC9A1 P19634 2/20 0.36

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
SCHEMBL6937531 0.99 SLC9A1 (0.36) THRBSLC9A1
SCHEMBL6937451 0.96 SLC9A1 (0.37) SLC9A1
SCHEMBL6935116 0.91 EGLN1 (0.39) SLC9A1
SCHEMBL6937384 0.89 SLC9A1 (0.49) SLC9A1
SCHEMBL6936738 0.88 SLC9A1 (0.50) SLC9A1
SCHEMBL8538192 0.87 SLC9A1 (0.41) SLC9A1
SCHEMBL6935900 0.84 SLC9A1 (0.51) SLC9A1
SCHEMBL6937503 0.83 SLC9A1 (0.52) SLC9A1
SCHEMBL8539428 0.83 THRB (0.43) THRB
SCHEMBL6935415 0.83 SLC9A1 (0.50) SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758644-B1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GMBH (DE) 2003-10-15 EP disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
EP-0758644-A1 Sulfonyl- or sulfinyl-benzoyl-guanidine derivatives MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed