SCHEMBL8553129

SCHEMBL8553129

Cc1ccc(S(=O)(=O)NC(=O)Nc2c(C#N)cnn2-c2ccc(Br)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.66
PTGS1 P23219 9/20 0.66
FBP1 P09467 1/20 0.46
FPR1 P21462 1/20 0.46
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
GFER P55789 1/20 0.41

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 0.95 PTGS2 (0.72) PTGS2PTGS1FBP1FPR1LMNA
SCHEMBL8550834 0.90 PTGS2 (0.66) PTGS2PTGS1FPR1EGFRERBB2
SCHEMBL8552523 0.90 PTGS2 (0.66) PTGS2PTGS1FBP1FPR1LMNA
SCHEMBL8554553 0.90 PTGS2 (0.66) PTGS2PTGS1FPR1LMNAGFER
SCHEMBL8551988 0.88 PTGS2 (0.73) PTGS2PTGS1FPR1LMNASMN1; SMN2
SCHEMBL8559075 0.87 PTGS2 (0.63) PTGS2PTGS1FPR1LMNAALDH1A1
SCHEMBL8552699 0.82 PTGS1 (0.55) PTGS2PTGS1FBP1FPR1LMNA
SCHEMBL8551424 0.82 PTGS1 (0.65) PTGS2PTGS1FPR1GFER
SCHEMBL8554538 0.82 PTGS1 (0.54) PTGS2PTGS1FBP1LMNAALDH1A1
SCHEMBL8557299 0.80 PTGS1 (0.53) PTGS2PTGS1FBP1FPR1LMNA

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