SCHEMBL5334481

SCHEMBL5334481

CCCCc1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(OC)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
CA9 Q16790 2/20 0.51
CA12 O43570 1/20 0.51
CHRNA7 P36544 6/20 0.51
PDPK1 O15530 2/20 0.51
PTGS2 P35354 9/20 0.49
PTGS1 P23219 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL2465664 0.89 CHRNA7 (0.56) CA2CA1CA9CA12CHRNA7
SCHEMBL2463842 0.81 CA1 (0.59) CA2CA1CA9CA12CHRNA7
SCHEMBL347479 0.81 CA1 (0.59) CA2CA1CA9CA12CHRNA7
SCHEMBL17917307 0.75 CHRNA7 (0.56) CA2CA1CA9CA12CHRNA7
SCHEMBL5314130 0.74 CA9 (0.62) CA2CA1CA9CA12CHRNA7
SCHEMBL5314069 0.73 PTGS2 (0.69) CA2CA1CA9CA12PTGS2
SCHEMBL5311859 0.73 PTGS2 (0.69) CA2CA1CA9CA12PTGS2
Apricoxib SCHEMBL3435344 0.73 CA1 (0.60) CA2CA1CA9CA12CHRNA7
Apricoxib SCHEMBL346028 0.73 CA1 (0.60) CA2CA1CA9CA12CHRNA7
SCHEMBL5309213 0.73 CA1 (0.45) CA2CA1CA9CA12CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed