SCHEMBL8663100

SCHEMBL8663100

CCC/C=C/c1cc(C)c(C(=O)Cl)cc1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
PDE5A O76074 1/20 0.32

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
SCHEMBL8663101 1.00 SLC9A1 (0.36) SLC9A1PDE5A
SCHEMBL8663924 0.92 PDE5A (0.41) SLC9A1PDE5A
SCHEMBL8663928 0.92 PDE5A (0.41) SLC9A1PDE5A
SCHEMBL8663106 0.89 SLC9A1 (0.38) SLC9A1
SCHEMBL8663109 0.89 SLC9A1 (0.38) SLC9A1
SCHEMBL8667210 0.87
SCHEMBL8667207 0.87
SCHEMBL8666485 0.82 SLC9A1 (0.40) SLC9A1
SCHEMBL8666482 0.82 SLC9A1 (0.40) SLC9A1
SCHEMBL7802929 0.82 SLC9A1 (0.62) 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 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