SCHEMBL8530215

SCHEMBL8530215

NS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
HNF4A P41235 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
FOLH1 Q04609 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 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
SCHEMBL8529625 0.86 PTGS2 (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8534063 0.81 CA1 (0.42) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL409670 0.76 ALDH1A1 (0.41) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29226029 0.75 HNF4A (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL30153392 0.75 HNF4A (0.56) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8528932 0.74 XDH (0.40) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL8533248 0.74 FOLH1 (0.39) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL6239020 0.74 BCAT2 (0.49) MAPTALDH1A1CA1CA2CA9
SCHEMBL27370429 0.73 PTGS2 (0.35) MEN1KMT2AMAPTLMNACYP2C9
SCHEMBL8533261 0.73 SLC9A1 (0.42)

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