SCHEMBL8304829

SCHEMBL8304829

N#Cc1cc(F)cc(-c2sc(OC(=O)O)nc2-c2cccc(Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
PGR P06401 1/20 0.38
ADORA1 P30542 4/20 0.37
ADORA2A P29274 4/20 0.37
ADORA2B P29275 2/20 0.37
MAPK14 Q16539 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RORB Q92753 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL8301479 0.92 PTGDR2 (0.42) PTGDR2ADORA1ADORA2AADORA2B
SCHEMBL8322495 0.90 GRM5 (0.34)
SCHEMBL8234988 0.89 MAPK14 (0.40) PTGDR2ADORA1ADORA2AMAPK14RORB
SCHEMBL8292582 0.85 PTGDR2 (0.43) PTGDR2PGR
SCHEMBL8304828 0.85 PTGDR2 (0.40) PTGDR2PGRADORA1ADORA2AADORA2B
SCHEMBL8235757 0.84 RORB (0.45) ADORA1ADORA2AMAPK14RORBKMT2A
SCHEMBL8294963 0.84 PTGDR2 (0.41) PTGDR2ADORA1ADORA2AADORA2BMAPK14
SCHEMBL8285415 0.84 PTGDR2 (0.41) PTGDR2ADORA1ADORA2AADORA2BMAPK14
SCHEMBL8309906 0.83 PTGDR2 (0.43) PTGDR2ADORA1ADORA2A
SCHEMBL8284378 0.81 PTGDR2 (0.43) PTGDR2KMT2A

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