SCHEMBL8700065

SCHEMBL8700065

Cc1c(C(=O)N=C(N)N)ccc(-n2ccnc2C)c1S(C)(=O)=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.42
SLC9A3 P48764 1/20 0.41
SLC9A2 Q9UBY0 1/20 0.41

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
SCHEMBL8700153 0.87 SLC9A1 (0.39) SLC9A1SLC9A3SLC9A2
SCHEMBL9022000 0.82 SLC9A1 (0.40) SLC9A1SLC9A3SLC9A2
SCHEMBL8706200 0.80 CMA1 (0.41)
SCHEMBL8704441 0.80 SLC9A1 (0.59) SLC9A1SLC9A3SLC9A2
SCHEMBL8700401 0.80 SLC9A1 (0.43) SLC9A1SLC9A3SLC9A2
SCHEMBL8699880 0.78 SLC9A1 (0.38) SLC9A1SLC9A3SLC9A2
SCHEMBL8704860 0.78 SLC9A1 (0.48) SLC9A1SLC9A3SLC9A2
SCHEMBL8707619 0.77 SLC9A1 (0.41) SLC9A1SLC9A3SLC9A2
SCHEMBL8447101 0.77 SLC9A1 (0.66) SLC9A1SLC9A3SLC9A2
SCHEMBL8446532 0.76 SLC9A1 (0.52) SLC9A1SLC9A3SLC9A2

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
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