SCHEMBL2301153

SCHEMBL2301153

COc1ccc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
MAPKAPK2 P49137 3/20 0.42
TGFBR1 P36897 1/20 0.40
F10 P00742 5/20 0.39
PTGS2 P35354 4/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TNF P01375 1/20 0.38
PARP1 P09874 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL2301546 0.91 ACVR1 (0.40) CA1CA2CA4CA7TGFBR1
SCHEMBL2302987 0.89 PRKAB2 (0.42) CA1CA2CA4CA7MAPKAPK2
SCHEMBL2301613 0.88 TGFBR1 (0.42) CA1CA2MAPKAPK2TGFBR1PTGS2
SCHEMBL2237662 0.87 PTGS2 (0.37) CA1CA2PTGS2CA12CA9
SCHEMBL2304629 0.87 CA1 (0.47) CA1CA2CA4CA7TGFBR1
SCHEMBL2299463 0.86 CA12 (0.41) CA1CA2CA7F10PTGS2
SCHEMBL2300517 0.86 PTGS2 (0.41) CA1CA2CA4CA7PTGS2
SCHEMBL2303495 0.86 PTGES2 (0.37) F10
SCHEMBL2303165 0.85 CA12 (0.39) CA1CA2CA12CA9
SCHEMBL2302226 0.85 CA1 (0.34) CA1CA2CA4CA7F10

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