SCHEMBL8612833

SCHEMBL8612833

Cc1cc(C(F)(F)C(F)(F)F)c(S(C)(=O)=O)cc1C(=O)N=C(N)N.Cc1cc(C(F)(F)C(F)(F)F)c(S(C)(=O)=O)cc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.64

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
SCHEMBL9018727 0.96 SLC9A1 (0.68) SLC9A1
SCHEMBL9018704 0.87 SLC9A1 (0.41) SLC9A1
SCHEMBL8529441 0.86 SLC9A1 (0.60) SLC9A1
SCHEMBL7797751 0.86 SLC9A1 (0.72) SLC9A1
SCHEMBL8531034 0.83 SLC9A1 (0.76) SLC9A1
SCHEMBL8612265 0.81 SLC9A1 (0.61) SLC9A1
SCHEMBL6935465 0.81 SLC9A1 (0.72) SLC9A1
SCHEMBL8610222 0.79 SLC9A1 (0.61) SLC9A1
SCHEMBL8573395 0.79 SLC9A1 (0.53) SLC9A1
SCHEMBL8528363 0.79 SLC9A1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747539-A Fluorine-containing benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed