SCHEMBL13637271

SCHEMBL13637271

O=CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA4 P22748 3/20 0.51
CA9 Q16790 3/20 0.51
PTGER2 P43116 16/20 0.49
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL13420292 0.87 PTGER2 (0.52) CA12CA1CA2CA4CA9
SCHEMBL4945973 0.86 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL13398723 0.85 PTGER2 (0.54) CA12CA1CA2CA4CA9
SCHEMBL5046357 0.84 CA12 (0.57) CA12CA1CA2CA4CA9
SCHEMBL13398734 0.83 PTGER2 (0.54) CA12CA1CA2CA4CA9
SCHEMBL5048075 0.82 PTGER2 (0.54) CA12CA1CA2CA4CA9
SCHEMBL13399398 0.80 PTGER2 (0.58) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL5047950 0.80 CA12 (0.77) CA12CA1CA2CA4CA9
SCHEMBL13399069 0.80 PTGER2 (0.67) CA12CA1CA2CA4CA9
SCHEMBL13399315 0.79 PTGER2 (0.57) CA12CA1CA2CA4CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed