SCHEMBL14735844

SCHEMBL14735844

N#Cc1cc(F)cc(-c2sc(OC(=O)O)cc2-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.35
SLC22A12 Q96S37 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ARNT P27540 2/20 0.34
EPAS1 Q99814 2/20 0.34
ACLY P53396 1/20 0.34
PGR P06401 2/20 0.33
PTGS2 P35354 2/20 0.33
RPA1 P27694 1/20 0.33
SLC9A1 P19634 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PGGT1B P53609 1/20 0.32

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
SCHEMBL2481398 0.87 PTGS2 (0.36) CHRM2CHRM1CHRM3ARNTEPAS1
SCHEMBL2510401 0.87 PGR (0.40) CHRM2CHRM1CHRM3ARNTEPAS1
SCHEMBL421510 0.84 MAPK14 (0.45) XDHSLC22A12RPA1SLC9A1
SCHEMBL2506075 0.82 CNR2 (0.39) XDHARNTEPAS1ACLYPTGDR2
SCHEMBL420399 0.79 MAPK14 (0.51) CHRM2CHRM1CHRM3PGRPTGS2
SCHEMBL2482567 0.73 MAPK14 (0.38) CHRM2CHRM1CHRM3ARNTEPAS1
SCHEMBL422505 0.72 MAPK14 (0.41) CHRM2CHRM1CHRM3PGR
SCHEMBL2505963 0.71 FNTA (0.41) CHRM3ARNTEPAS1PGRPTGDR2
SCHEMBL422068 0.70 MAPK14 (0.50) PTGS2RPA1SLC9A1
SCHEMBL2509882 0.70 S1PR1 (0.36) CHRM3ARNTEPAS1PGRPTGDR2

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 1 patent. 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