SCHEMBL9199282

SCHEMBL9199282

CCOC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(N)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.72
CHRNA7 P36544 5/20 0.70
PTGS2 P35354 7/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR1H2 P55055 1/20 0.51
PTGS1 P23219 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL9204895 0.91 CA9 (0.82) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL7627415 0.89 CHRNA7 (0.83) CA9CHRNA7PTGS2PTGS1
SCHEMBL6511261 0.89 CA9 (0.69) CA9CHRNA7PTGS2SMN1; SMN2HDAC3
SCHEMBL9941326 0.89 CA9 (0.82) CA9CHRNA7PTGS2NR1H2PTGS1
SCHEMBL9210036 0.89 CA9 (0.75) CA9CHRNA7PTGS2NR1H2
SCHEMBL9199925 0.88 CA9 (0.68) CA9CHRNA7PTGS2PTGS1
SCHEMBL8922996 0.88 CA9 (0.68) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL8925232 0.88 CA9 (0.68) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL9202722 0.88 CA9 (0.67) CA9CHRNA7PTGS2SMN1; SMN2NR1H2
SCHEMBL9203290 0.88 CA9 (0.76) CA9CHRNA7PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP disclosed