SCHEMBL8554179

SCHEMBL8554179

Cc1ccccc1S(=O)(=O)NC(=O)Nc1c(C#N)cnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.54
PTGS2 P35354 8/20 0.54
GFER P55789 1/20 0.49
FPR1 P21462 1/20 0.48
FBP1 P09467 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CNKSR1 Q969H4 2/20 0.41
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL8551424 0.86 PTGS1 (0.65) PTGS1PTGS2GFERFPR1CA12
SCHEMBL8554553 0.85 PTGS2 (0.66) PTGS1PTGS2GFERFPR1
SCHEMBL8552452 0.81 PTGS1 (0.62) PTGS1PTGS2GFERCA12CA1
SCHEMBL8554524 0.81 PTGS1 (0.62) PTGS1PTGS2GFERCA12CA1
SCHEMBL8557247 0.81 NTRK1 (0.51) FPR1FBP1CA12CA1CA2
SCHEMBL8553685 0.81 FBP1 (0.44) PTGS1PTGS2FBP1CA12CA1
SCHEMBL8553948 0.81 PTGS1 (0.62) PTGS1PTGS2GFERFPR1CNKSR1
SCHEMBL8556342 0.80 PTGS2 (0.72) PTGS1PTGS2GFERFPR1FBP1
SCHEMBL8554704 0.79 CA1 (0.43) FPR1FBP1CA12CA1CA2
SCHEMBL8555698 0.79 PTGS1 (0.59) PTGS1PTGS2GFERCA12CA1

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
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed