SCHEMBL9744791

SCHEMBL9744791

CCc1ccccc1-n1nc(C(N)=O)cc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CA9 Q16790 2/20 0.45
CHRNA7 P36544 8/20 0.44
ALOX5 P09917 2/20 0.44
CACNB4 O00305 1/20 0.43
CACNA1A O00555 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNG3 O60359 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNB3 P54284 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNG7 P62955 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNG1 Q06432 1/20 0.43
CACNB2 Q08289 1/20 0.43
CACNA1S Q13698 1/20 0.43

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
SCHEMBL9208216 0.86 PTGS2 (0.49) PTGS2ALDH1A1CHRNA7ALOX5MAPT
SCHEMBL9209551 0.83 ALOX5 (0.60) PTGS2CA9CHRNA7ALOX5
SCHEMBL9744795 0.82 PTGS2 (0.55) PTGS2CA9CHRNA7
SCHEMBL9208779 0.79 PTGS2 (0.51) PTGS2CHRNA7
SCHEMBL9200880 0.78 PTGS2 (0.63) PTGS2CA9CHRNA7ALOX5
SCHEMBL9204576 0.78 PTGS2 (0.59) PTGS2CHRNA7ALOX5
SCHEMBL9208261 0.78 CHRNA7 (0.51) PTGS2CHRNA7ALOX5
SCHEMBL27330300 0.77 PTGS2 (0.55) PTGS2CA9CHRNA7ALOX5
SCHEMBL9199556 0.77 AOC3 (0.65) PTGS2CHRNA7
SCHEMBL9202470 0.76 PTGS2 (0.51) PTGS2CHRNA7

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-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed