SCHEMBL2481398

SCHEMBL2481398

O=C(O)Oc1cc(-c2ccc(F)c(Cl)c2)c(-c2cc(F)cc(Cl)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.36
RPA1 P27694 1/20 0.36
SLC9A1 P19634 2/20 0.35
KMO O15229 2/20 0.35
ABL1 P00519 1/20 0.34
CHRM3 P20309 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
PTGS1 P23219 2/20 0.34
ARNT P27540 3/20 0.33
EPAS1 Q99814 3/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL14735844 0.87 XDH (0.35) PTGS2RPA1SLC9A1CHRM3CHRM2
SCHEMBL2506075 0.86 CNR2 (0.39) ARNTEPAS1
SCHEMBL2482567 0.85 MAPK14 (0.38) PTGS2ABL1CHRM3CHRM2CHRM1
SCHEMBL422068 0.82 MAPK14 (0.50) PTGS2RPA1SLC9A1KMOPTGS1
SCHEMBL8236345 0.77 KMO (0.38) PTGS2RPA1KMOABL1PTGS1
SCHEMBL421904 0.76 MAPK14 (0.56) PTGS2CHRM3CHRM2CHRM1PTGS1
SCHEMBL2486902 0.74 RPA1 (0.41) PTGS2RPA1KMOCHRM3CHRM2
SCHEMBL2510401 0.74 PGR (0.40) CHRM3CHRM2CHRM1ARNTEPAS1
SCHEMBL2509882 0.73 S1PR1 (0.36) CHRM3ARNTEPAS1
SCHEMBL12942058 0.71 KMO (0.43) RPA1KMOABL1

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-2376482-B1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2013-03-06 EP disclosed
EP-2376482-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010075962-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed