SCHEMBL6289834

SCHEMBL6289834

NS(=O)(=O)c1ccc(-n2cncc2-c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.63
PTGS1 P23219 7/20 0.63
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CHRNA7 P36544 2/20 0.52
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL6294248 0.86 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6180979 0.86 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL19953122 0.78 HSP90AA1 (0.46)
SCHEMBL10773460 0.77 FLT3 (0.55)
SCHEMBL25611833 0.77 FLT3 (0.47)
SCHEMBL2463751 0.77 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA12
SCHEMBL5309174 0.77 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA12
SCHEMBL2466828 0.76 CHRNA7 (0.66) PTGS2PTGS1CA1CA2CA12
SCHEMBL5309196 0.76 CHRNA7 (0.66) PTGS2PTGS1CA1CA2CA12
SCHEMBL7212037 0.75 PTGS2 (0.63) PTGS2PTGS1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US claimed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP claimed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP claimed
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US disclosed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP disclosed