SCHEMBL8554524

SCHEMBL8554524

N#Cc1cnn(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.62
PTGS2 P35354 9/20 0.62
GFER P55789 1/20 0.49
LMNA P02545 3/20 0.45
CYP2C9 P11712 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C18 P33260 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
XDH P47989 1/20 0.41
CNKSR1 Q969H4 1/20 0.40
CA12 O43570 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 0.92 PTGS1 (0.65) PTGS1PTGS2GFERNPSR1XDH
SCHEMBL8552523 0.90 PTGS2 (0.66) PTGS1PTGS2GFERLMNAKMT2A
SCHEMBL8552452 0.90 PTGS1 (0.62) PTGS1PTGS2GFERCYP2C9CYP3A4
SCHEMBL8554553 0.90 PTGS2 (0.66) PTGS1PTGS2GFERLMNA
SCHEMBL8553948 0.89 PTGS1 (0.62) PTGS1PTGS2GFERLMNANPSR1
SCHEMBL8555698 0.87 PTGS1 (0.59) PTGS1PTGS2GFERPOLBMEN1
SCHEMBL8556342 0.84 PTGS2 (0.72) PTGS1PTGS2GFERLMNAKMT2A
SCHEMBL8554179 0.81 PTGS1 (0.54) PTGS1PTGS2GFERCNKSR1CA12
SCHEMBL8555161 0.80 PTGS2 (0.53) PTGS1PTGS2LMNAKMT2ACA12
SCHEMBL8550834 0.80 PTGS2 (0.66) PTGS1PTGS2LMNATSHR

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