SCHEMBL8309906

SCHEMBL8309906

N#Cc1cccc(-c2sc(OC(=O)O)nc2-c2ccc(F)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.43
EIF4E P06730 1/20 0.40
MCHR1 Q99705 6/20 0.40
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MDM2 Q00987 1/20 0.36
CTSA P10619 2/20 0.36
TSPO P30536 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
SCHEMBL8236060 0.87 RORB (0.42) ADORA2AADORA1PDE4APDE4CPDE4D
SCHEMBL8245942 0.87 RORB (0.42) ADORA2AADORA1PDE4APDE4CPDE4D
SCHEMBL8301479 0.87 PTGDR2 (0.42) PTGDR2EIF4EADORA2AADORA1PDE4A
SCHEMBL8376658 0.87 PTGDR2 (0.45) PTGDR2EIF4EADORA2AADORA1XDH
SCHEMBL8309904 0.86 EIF4E (0.46) PTGDR2EIF4EMCHR1ADORA2AADORA1
SCHEMBL8304829 0.83 PTGDR2 (0.38) PTGDR2ADORA2AADORA1
SCHEMBL8285415 0.83 PTGDR2 (0.41) PTGDR2ADORA2AADORA1
SCHEMBL8294963 0.83 PTGDR2 (0.41) PTGDR2ADORA2AADORA1
SCHEMBL8236345 0.80 KMO (0.38) PTGDR2ADORA2AADORA1MDM2CTSA
SCHEMBL8292582 0.78 PTGDR2 (0.43) PTGDR2XDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467381-A1 SUBSTITUTED (THIAZOLYL-CARBONYL)IMIDAZOLIDINONES AND USE THEREOF FOR TREATING RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2012-06-27 EP disclosed
WO-2011020822-A1 SUBSTITUTED (THIAZOLYL-CARBONYL)IMIDAZOLIDINONES AND USE THEREOF FOR TREATING RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2011-02-24 WO disclosed