SCHEMBL8700682

SCHEMBL8700682

CCc1c(C(=O)N=C(N)N)ccc(-n2ccnc2)c1S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
SLC9A3 P48764 1/20 0.39
SLC9A2 Q9UBY0 1/20 0.39

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
SCHEMBL27360612 0.87 PDE4A (0.35)
SCHEMBL8700401 0.86 SLC9A1 (0.43) SLC9A1SLC9A3SLC9A2
SCHEMBL8704354 0.85 SLC9A1 (0.53) SLC9A1SLC9A3SLC9A2
SCHEMBL8706145 0.84 SLC9A1 (0.43) SLC9A1SLC9A3SLC9A2
SCHEMBL8700000 0.82 SLC9A1 (0.38) SLC9A1SLC9A3SLC9A2
SCHEMBL8699331 0.81 HTT (0.44)
SCHEMBL8700153 0.80 SLC9A1 (0.39) SLC9A1SLC9A3SLC9A2
SCHEMBL8444399 0.77 SLC9A1 (0.55) SLC9A1SLC9A3SLC9A2
SCHEMBL8704001 0.77 SLC9A1 (0.56) SLC9A1
SCHEMBL9022321 0.76 SLC9A1 (0.37) 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 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