SCHEMBL8529883

SCHEMBL8529883

CCCCCCc1ccc(C(=O)N=C(N)N)c(F)c1S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37

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
SCHEMBL8532073 0.99 SLC9A1 (0.39) SLC9A1
SCHEMBL8530789 0.95 SLC9A1 (0.39) SLC9A1
SCHEMBL8532894 0.90 SLC9A1 (0.41) SLC9A1
SCHEMBL8534771 0.87 SLC9A1 (0.41) SLC9A1
SCHEMBL8532592 0.86 SLC9A1 (0.43) SLC9A1
SCHEMBL8529973 0.86 SLC9A1 (0.38) SLC9A1
SCHEMBL8581585 0.86 SLC9A1 (0.40) SLC9A1
SCHEMBL8529845 0.86
SCHEMBL8529975 0.86 SLC9A1 (0.38) SLC9A1
SCHEMBL8533802 0.86 SLC9A1 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed
EP-0699663-B1 Alkyl-benzoylguanidine derivatives MERCK PATENT GMBH (DE) 1998-11-04 EP disclosed
EP-0699663-A1 Alkyl-benzoylguanidine derivatives MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed