SCHEMBL2301951

SCHEMBL2301951

CCCCCc1ccc(-c2cc(N3CCNC3=O)ccc2S(N)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
S1PR1 P21453 3/20 0.38
GPR84 Q9NQS5 2/20 0.38
PDPK1 O15530 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
RARB P10826 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 1/20 0.34
COMT P21964 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
SCHEMBL2300359 0.99 CA2 (0.41) CA2CA12CA1CA9S1PR1
SCHEMBL2301170 0.97 CA2 (0.40) CA2CA12CA1CA9S1PR1
SCHEMBL2299463 0.86 CA12 (0.41) CA2CA12CA1CA9GPR84
SCHEMBL2305006 0.85 PDIA6 (0.40) CA2CA12CA1CA9GPR84
SCHEMBL2237662 0.82 PTGS2 (0.37) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL2304022 0.82 L3MBTL1 (0.37)
SCHEMBL2303830 0.82 LMNA (0.35) CA2CA1S1PR1MGLL
SCHEMBL2300517 0.81 PTGS2 (0.41) CA2CA12CA1CA9
SCHEMBL2303165 0.81 CA12 (0.39) CA2CA12CA1CA9PDPK1
SCHEMBL2302226 0.80 CA1 (0.34) CA2CA12CA1CA9

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