SCHEMBL8534928

SCHEMBL8534928

Cc1c(C(=O)O)ccc(-c2cccc(Cl)c2)c1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 1/20 0.45
PTGER4 P35408 2/20 0.44
PIN1 Q13526 1/20 0.43
PTGER2 P43116 1/20 0.43
ACLY P53396 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
NOTUM Q6P988 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC9A1 P19634 1/20 0.38
LMNA P02545 1/20 0.38
SORT1 Q99523 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
SCHEMBL27348223 0.85 SLC9A1 (0.40) PIN1PTGDR2RAB9AKMT2ASLC9A1
SCHEMBL8528490 0.83 SLC9A1 (0.53) SLC9A1
SCHEMBL27516092 0.81 DCLRE1B (0.49) DCLRE1BPTGER4PIN1PTGER2NOTUM
SCHEMBL8610884 0.75 ABL1 (0.44) ACLYKMT2ALMNA
SCHEMBL1495458 0.74 LMNA (0.53) ACLYNOTUMKMT2ALMNA
SCHEMBL8528444 0.73 SLC9A1 (0.50) SLC9A1
SCHEMBL23908713 0.72 DCLRE1B (0.51) DCLRE1BACLYRAB9A
SCHEMBL27456663 0.72 DCLRE1B (0.48) DCLRE1BPTGER4PIN1PTGER2NOTUM
SCHEMBL10024224 0.71 DCLRE1B (0.61) DCLRE1BPTGER4PIN1PTGER2ACLY
SCHEMBL269867 0.70 HNF4A (0.53) DCLRE1BRAB9A

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