SCHEMBL8553685

SCHEMBL8553685

Cc1ccccc1S(=O)(=O)NC(=O)Nc1c(C#N)cnn1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA12 O43570 2/20 0.43
ATM Q13315 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CCKBR P32239 1/20 0.38
NLRP3 Q96P20 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
EPHX2 P34913 1/20 0.37
P2RY12 Q9H244 1/20 0.36
TBXA2R P21731 2/20 0.36
PKM P14618 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL8553249 0.84 ADORA3 (0.51) FBP1PTGS1PTGS2NLRP3KDM4E
SCHEMBL8554179 0.81 PTGS1 (0.54) FBP1CA1CA2CA9CA12
SCHEMBL21475472 0.73 NLRP3 (0.41) FBP1CA1CA2CA9CA12
SCHEMBL8557247 0.71 NTRK1 (0.51) FBP1CA1CA2CA9CA12
SCHEMBL8997240 0.70 PTGS1 (0.48) PTGS1PTGS2HPGD
SCHEMBL8552699 0.69 PTGS1 (0.55) FBP1CA1CA2CA9CA12
SCHEMBL22986508 0.69 PKM (0.41) PKMKDM4EALDH1A1
SCHEMBL8557150 0.67 KCNJ3 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL8554553 0.67 PTGS2 (0.66) PTGS1PTGS2
SCHEMBL8554704 0.67 CA1 (0.43) FBP1CA1CA2CA9CA12

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