SCHEMBL8533261

SCHEMBL8533261

CS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)N=C(N)N)c1C(F)F

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.42
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL8533404 0.89 HTR2B (0.39) SLC9A1HTR7HTR2B
SCHEMBL27370429 0.86 PTGS2 (0.35)
SCHEMBL8534938 0.84 SLC9A1 (0.44) SLC9A1
SCHEMBL8529625 0.83 PTGS2 (0.38)
SCHEMBL8529748 0.80 SLC9A1 (0.43) SLC9A1
SCHEMBL8533625 0.79 SLC9A1 (0.41) SLC9A1
SCHEMBL8529278 0.79 SLC9A1 (0.42) SLC9A1
SCHEMBL8533060 0.75 SLC9A1 (0.40) SLC9A1HTR7HTR2B
SCHEMBL8530215 0.73 MEN1 (0.39)
SCHEMBL8581878 0.73 SLC9A1 (0.36) 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
EP-0699660-B1 Arylbenzoylguanidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed
EP-0699660-A2 Arylbenzoylguanidines MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed