SCHEMBL8444846

SCHEMBL8444846

Cc1cn(-c2cc(CF)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)cn1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.52
SLC9A3 P48764 1/20 0.52
SLC9A2 Q9UBY0 1/20 0.52

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
SCHEMBL8446140 0.92 SLC9A1 (0.54) SLC9A1SLC9A3SLC9A2
SCHEMBL8444826 0.86 SLC9A1 (0.55) SLC9A1SLC9A3SLC9A2
SCHEMBL8446168 0.86 SLC9A1 (0.69) SLC9A1SLC9A3SLC9A2
SCHEMBL8444394 0.84 SLC9A1 (0.52) SLC9A1SLC9A3SLC9A2
SCHEMBL8444274 0.84 SLC9A1 (0.52) SLC9A1SLC9A3SLC9A2
SCHEMBL8446681 0.83 SLC9A1 (0.71) SLC9A1SLC9A3SLC9A2
SCHEMBL8444805 0.82 SLC9A1 (0.53) SLC9A1SLC9A3SLC9A2
SCHEMBL8447882 0.82 SLC9A1 (0.53) SLC9A1SLC9A3SLC9A2
SCHEMBL8701748 0.82 PSEN1 (0.39) SLC9A1SLC9A3SLC9A2
SCHEMBL8447922 0.82 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 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