SCHEMBL8555742

SCHEMBL8555742

Cc1nn(C2CCNCC2)c(NC(=O)OC(C)(C)C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.36
NR3C1 P04150 4/20 0.35
CTSK P43235 2/20 0.34
EGLN2 Q96KS0 1/20 0.33
GFER P55789 1/20 0.33
LPAR1 Q92633 1/20 0.32
NSD3 Q9BZ95 1/20 0.32
PDE7A Q13946 2/20 0.32
KCNA3 P22001 1/20 0.32
AR P10275 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
KDM1A O60341 1/20 0.31
RORC P51449 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL8557778 0.88 CTSK (0.36) NR3C1CTSKLPAR1PDE7AKCNA3
SCHEMBL8555714 0.79 NR3C1 (0.45) NR3C1KCNA3
SCHEMBL31082113 0.70 KMT2A (0.34) CTSKBTK
SCHEMBL31081835 0.70 KMT2A (0.34) CTSKBTK
SCHEMBL8555745 0.70 PLAT (0.36) PLATKDM1A
SCHEMBL18300633 0.67 DGAT1 (0.41) CTSKEGLN2
SCHEMBL31735465 0.65 PDE7A (0.39) NR3C1GFERPDE7A
SCHEMBL30867727 0.64 JAK1 (0.43) GFERLPAR1JAK3
SCHEMBL31198142 0.64 CTSS (0.34) CTSKEGLN2
SCHEMBL31735370 0.63 CHRM2 (0.39) AR

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