SCHEMBL8666392

SCHEMBL8666392

C/C=C/Cc1ccc(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
ADRA1D P25100 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL8666395 1.00 SLC9A1 (0.35) SLC9A1SLC9A2ADRA1DTHRATHRB
SCHEMBL8665023 0.87 SMN1; SMN2 (0.33) SLC9A1SLC9A2ADRA1DTHRATHRB
SCHEMBL8665020 0.87 SMN1; SMN2 (0.33) SLC9A1SLC9A2ADRA1DTHRATHRB
SCHEMBL8667526 0.86 SLC9A1 (0.33) SLC9A1SLC9A2THRATHRB
SCHEMBL8667529 0.86 SLC9A1 (0.33) SLC9A1SLC9A2THRATHRB
SCHEMBL8664961 0.85 THRA (0.32) SLC9A1SLC9A2THRATHRB
SCHEMBL8664964 0.85 THRA (0.32) SLC9A1SLC9A2THRATHRB
SCHEMBL8664475 0.84 POLB (0.38) SLC9A1SLC9A2THRATHRB
SCHEMBL7798801 0.81 SLC9A1 (0.57) SLC9A1SLC9A2
SCHEMBL7798803 0.81 SLC9A1 (0.57) SLC9A1SLC9A2

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-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed