SCHEMBL2300517

SCHEMBL2300517

NS(=O)(=O)c1ccc(N2CCNC2=O)cc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA4 P22748 3/20 0.41
CA7 P43166 3/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
PTGS1 P23219 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TDO2 P48775 2/20 0.38
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
PARP1 P09874 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
SCHEMBL2303196 0.89 PTGS2 (0.44) PTGS2CA1CA2CA4CA7
SCHEMBL2301215 0.89 CA2 (0.37) PTGS2CA1CA2CA4CA12
SCHEMBL2305060 0.89 CA1 (0.40) PTGS2CA1CA2CA4CA7
SCHEMBL2237662 0.89 PTGS2 (0.37) PTGS2CA1CA2CA12CA9
SCHEMBL2302226 0.89 CA1 (0.34) PTGS2CA1CA2CA4CA7
SCHEMBL2299883 0.89 EIF2AK2 (0.41) PTGS2CA1CA2CA12CA9
SCHEMBL2307068 0.88 TDO2 (0.40) ALDH1A1POLBTDO2ALOX5APFEN1
SCHEMBL2303165 0.87 CA12 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL2301153 0.86 CA1 (0.43) PTGS2CA1CA2CA4CA7
SCHEMBL2303495 0.85 PTGES2 (0.37) ALDH1A1ALOX5APFEN1

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-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed