SCHEMBL8448181

SCHEMBL8448181

CS(=O)(=O)c1cc(C(=O)N=C(N)N)c(C(F)(F)F)cc1-n1ccnc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.53
SLC9A3 P48764 1/20 0.53
SLC9A2 Q9UBY0 1/20 0.53

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
SCHEMBL8447637 0.86 SLC9A1 (0.56) SLC9A1SLC9A3SLC9A2
SCHEMBL8444813 0.86 SLC9A1 (0.71) SLC9A1SLC9A3SLC9A2
SCHEMBL8444794 0.85 SLC9A1 (0.73) SLC9A1SLC9A3SLC9A2
Hydrochloric Acid SCHEMBL8705699 0.84 SLC9A1 (0.71) SLC9A1SLC9A3SLC9A2
SCHEMBL8444820 0.84 SLC9A1 (0.56) SLC9A1SLC9A3SLC9A2
SCHEMBL8444805 0.83 SLC9A1 (0.53) SLC9A1SLC9A3SLC9A2
SCHEMBL8446565 0.83 SLC9A1 (0.53) SLC9A1SLC9A3SLC9A2
SCHEMBL8444399 0.83 SLC9A1 (0.55) SLC9A1SLC9A3SLC9A2
SCHEMBL8447969 0.83 SLC9A1 (0.57) SLC9A1SLC9A3SLC9A2
SCHEMBL8444394 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