SCHEMBL2301170

SCHEMBL2301170

CCCCc1ccc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDPK1 O15530 2/20 0.40
CA1 P00915 4/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
GPR84 Q9NQS5 2/20 0.37
COMT P21964 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
AGTR2 P50052 2/20 0.35
S1PR1 P21453 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
SCHEMBL2301951 0.97 CA2 (0.41) CA2SMN1; SMN2PDPK1CA1CA12
SCHEMBL2300359 0.96 CA2 (0.41) CA2SMN1; SMN2PDPK1CA1CA12
SCHEMBL2299463 0.87 CA12 (0.41) CA2CA1CA12CA9GPR84
SCHEMBL2305006 0.84 PDIA6 (0.40) CA2CA1CA12CA9GPR84
SCHEMBL2237662 0.83 PTGS2 (0.37) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL2304022 0.83 L3MBTL1 (0.37) TSHR
SCHEMBL2303830 0.83 LMNA (0.35) CA2CA1NISCHAGTR2S1PR1
SCHEMBL2300517 0.82 PTGS2 (0.41) CA2CA1CA12CA9
SCHEMBL2303165 0.81 CA12 (0.39) CA2PDPK1CA1CA12CA9
SCHEMBL2302226 0.81 CA1 (0.34) CA2CA1CA12CA9

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