SCHEMBL8554538

SCHEMBL8554538

Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C#N)cnn2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 3/20 0.48
KMT2A Q03164 3/20 0.47
FBP1 P09467 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL8556342 0.86 PTGS2 (0.72) PTGS1PTGS2ALDH1A1SMN1; SMN2TP53
SCHEMBL8554553 0.84 PTGS2 (0.66) PTGS1PTGS2LMNAL3MBTL1
SCHEMBL8553249 0.83 ADORA3 (0.51) PTGS1PTGS2ALDH1A1SMN1; SMN2TP53
SCHEMBL8553129 0.82 PTGS2 (0.66) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL8552699 0.82 PTGS1 (0.55) PTGS1PTGS2ALDH1A1SMN1; SMN2TP53
SCHEMBL8552523 0.82 PTGS2 (0.66) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL8550834 0.82 PTGS2 (0.66) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL8551562 0.81 FPR1 (0.52) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA
SCHEMBL21475442 0.81 LMNA (0.53) ALDH1A1TP53LMNAKMT2AKDM4E
SCHEMBL8554620 0.81 PTGS1 (0.52) PTGS1PTGS2ALDH1A1SMN1; SMN2LMNA

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