SCHEMBL9744795

SCHEMBL9744795

CCc1ccc(-n2nc(C(N)=O)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.55
PTGS1 P23219 1/20 0.55
CA9 Q16790 2/20 0.55
CHRNA7 P36544 8/20 0.53
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL27330300 0.91 PTGS2 (0.55) PTGS2PTGS1CA9CHRNA7
SCHEMBL9200880 0.87 PTGS2 (0.63) PTGS2PTGS1CA9CHRNA7SMN1; SMN2
SCHEMBL9204576 0.87 PTGS2 (0.59) PTGS2PTGS1CHRNA7SMN1; SMN2
SCHEMBL9199556 0.86 AOC3 (0.65) PTGS2PTGS1CHRNA7
SCHEMBL9209551 0.86 ALOX5 (0.60) PTGS2CA9CHRNA7
SCHEMBL8925594 0.85 RARG (0.60) PTGS2CHRNA7SMN1; SMN2
SCHEMBL8925566 0.85 CHRNA7 (0.57) PTGS2CHRNA7SMN1; SMN2
SCHEMBL9208261 0.85 CHRNA7 (0.51) PTGS2CHRNA7SMN1; SMN2
SCHEMBL9210999 0.84 PTGS2 (0.55) PTGS2PTGS1CA9CHRNA7SMN1; SMN2
SCHEMBL9199063 0.84 CHRNA7 (0.66) PTGS2PTGS1CA9CHRNA7SMN1; 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 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