SCHEMBL8553077

SCHEMBL8553077

Cc1nn(CCOC(=O)OC(C)(C)C)c(N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 7/20 0.34
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ADORA2A P29274 1/20 0.30
GAA P10253 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL8553278 0.76 TSHR (0.52) TSHRALDH1A1HPGDKDM4ELMNA
SCHEMBL8552645 0.73 TSHR (0.47) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL8552268 0.72 TSHR (0.55) TSHRALDH1A1KDM4ELMNAMEN1
SCHEMBL18281328 0.71 ALDH1A1 (0.49) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18282807 0.71 ALDH1A1 (0.35) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7352542 0.71 TSHR (0.56) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2200208 0.68 TSHR (0.54) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7302490 0.67 TSHR (0.59) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8552869 0.67 TSHR (0.52) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7305763 0.67 TSHR (0.55) TSHRALDH1A1HPGDLMNAMEN1

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