SCHEMBL9210328

SCHEMBL9210328

CCOC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.63
CA9 Q16790 3/20 0.55
NR1H2 P55055 1/20 0.48
PTGS2 P35354 4/20 0.48
PTGS1 P23219 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AOC3 Q16853 1/20 0.45

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
SCHEMBL9211545 0.89 CHRNA7 (0.59) CHRNA7CA9NR1H2PTGS2PTGS1
SCHEMBL7627415 0.87 CHRNA7 (0.83) CHRNA7CA9PTGS2PTGS1AOC3
SCHEMBL16876828 0.85 CHRNA7 (0.54) CHRNA7CA9PTGS2KDM4ELMNA
SCHEMBL9212272 0.85 MARS1 (0.55) CHRNA7PTGS2PTGS1AOC3
SCHEMBL9205210 0.85 CHRNA7 (0.54) CHRNA7CA9PTGS2KDM4ELMNA
SCHEMBL9208779 0.84 PTGS2 (0.51) CHRNA7PTGS2PTGS1AOC3
SCHEMBL9201606 0.84 CHRNA7 (0.66) CHRNA7CA9NR1H2PTGS2PTGS1
SCHEMBL7872897 0.82 CHRNA7 (0.66) CHRNA7CA9NR1H2PTGS2SMN1; SMN2
SCHEMBL7872745 0.82 CHRNA7 (0.66) CHRNA7CA9NR1H2PTGS2SMN1; SMN2
SCHEMBL23024544 0.80 MAPT (0.53) CHRNA7KDM4ELMNAMAPTSMN1; 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