SCHEMBL8534063

SCHEMBL8534063

NS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA12 O43570 5/20 0.42
CA7 P43166 3/20 0.42
CA13 Q8N1Q1 3/20 0.42
ACMSD Q8TDX5 2/20 0.41
HNF4A P41235 2/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
CA9 Q16790 3/20 0.39
CA4 P22748 1/20 0.39
FOLH1 Q04609 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6239020 0.89 BCAT2 (0.49) CA1CA2CA12CA7CA13
SCHEMBL8529538 0.84 PTGS2 (0.41) ACMSDHNF4AFABP4FABP5FOLH1
SCHEMBL8533060 0.83 SLC9A1 (0.40) CA1CA2CA12CA7CA13
SCHEMBL8530215 0.81 MEN1 (0.39) CA1CA2CA12ACMSDHNF4A
SCHEMBL30153392 0.79 HNF4A (0.56) CA1CA2CA12CA7ACMSD
SCHEMBL6239022 0.79 CA12 (0.46) CA1CA2CA12CA7CA13
SCHEMBL29226029 0.79 HNF4A (0.56) CA1CA2CA12CA7ACMSD
SCHEMBL5728666 0.78 HNF4A (0.48) ACMSDHNF4AFABP4FABP5FOLH1
SCHEMBL8533248 0.78 FOLH1 (0.39) CA1CA2ACMSDHNF4ACA9
SCHEMBL8528932 0.78 XDH (0.40) CA1CA2ACMSDHNF4ACA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1055919-C Arylbenzoylguanidin MERCK PATENT GMBH (DE) 2000-08-30 CN disclosed
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