SCHEMBL8447980

SCHEMBL8447980

Cc1cn(-c2cc(C#N)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.47
SLC9A3 P48764 1/20 0.47
SLC9A2 Q9UBY0 1/20 0.47

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
SCHEMBL8446253 0.90 SLC9A1 (0.47) SLC9A1SLC9A3SLC9A2
SCHEMBL8446123 0.86 SLC9A1 (0.50) SLC9A1SLC9A3SLC9A2
SCHEMBL8444845 0.85 SLC9A1 (0.49) SLC9A1SLC9A3SLC9A2
SCHEMBL8446137 0.84 SLC9A1 (0.48) SLC9A1SLC9A3SLC9A2
SCHEMBL8447578 0.83 SLC9A1 (0.47) SLC9A1SLC9A3SLC9A2
SCHEMBL8446156 0.82 SLC9A1 (0.47) SLC9A1SLC9A3SLC9A2
SCHEMBL8447208 0.82 SLC9A1 (0.47) SLC9A1SLC9A3SLC9A2
SCHEMBL8447854 0.82 SLC9A1 (0.47) SLC9A1SLC9A3SLC9A2
SCHEMBL8447922 0.82 SLC9A1 (0.52) SLC9A1SLC9A3SLC9A2
SCHEMBL8699344 0.82 GAA (0.42)

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-0699666-B1 Heterocyclic substituted benzoylguanidine MERCK PATENT GMBH (DE) 1999-01-07 EP disclosed
US-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed
EP-0699666-A1 Heterocyclic substituted benzoylguanidine MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed