SCHEMBL8312878

SCHEMBL8312878

COc1c(C)cccc1/C=C/c1nc2c(s1)NCCCC2

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
HIF1A Q16665 1/20 0.31
RAB9A P51151 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL8312879 1.00 MAPT (0.32) MAPTKDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL8311619 0.89 MAPT (0.44) MAPTKDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL8311200 0.89 MAPT (0.44) MAPTKDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL8313159 0.86 MAPT (0.45) MAPTKDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL8313155 0.86 MAPT (0.45) MAPTKDM4EHSD17B10TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL8454357 0.85 MAPT (0.47) MAPTKDM4EHSD17B10TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL8454360 0.85 MAPT (0.47) MAPTKDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL8316367 0.83 PTGS2 (0.41) MAPTKDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL8316370 0.83 PTGS2 (0.41) MAPTKDM4EHSD17B10TP53SMN1; SMN2
SCHEMBL8316364 0.83 PTGS2 (0.41) MAPTKDM4EHSD17B10TP53SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP claimed
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
EP-0351856-A2 Thiazolo[5,4-b]azepine compounds Takeda Chemical Industries, Ltd. (JP) 1990-01-24 EP disclosed