SCHEMBL8533248

SCHEMBL8533248

CCc1c(C(=O)O)ccc(-c2ccccc2)c1S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HNF4A P41235 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
PTPN1 P18031 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36

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
SCHEMBL8529462 0.87 FOLH1 (0.40) FOLH1CA9MAPTMAPK1PKM
SCHEMBL28016227 0.87 GABRP (0.40) CA9LTB4RLTB4R2MCL1
SCHEMBL8533081 0.84 SLC9A1 (0.40)
SCHEMBL8534063 0.78 CA1 (0.42) FOLH1CA1CA2CA9MAPT
SCHEMBL28379211 0.77 HNF4A (0.46) FOLH1MAPTMAPK1PKMSMN1; SMN2
SCHEMBL8533064 0.77 PTGS1 (0.40) CA1CA2CA9SMN1; SMN2MCL1
SCHEMBL29226029 0.75 HNF4A (0.56) CA1CA2CA9MAPTPKM
SCHEMBL30153392 0.75 HNF4A (0.56) CA1CA2CA9MAPTPKM
SCHEMBL8530215 0.74 MEN1 (0.39) FOLH1CA1CA2CA9MAPT
SCHEMBL8528932 0.74 XDH (0.40) FOLH1CA1CA2CA9MAPT

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 5 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
CN-1117962-A Arylbenzoylguanidin MERCK PATENT GMBH (DE) 1996-03-06 CN disclosed