SCHEMBL8313159

SCHEMBL8313159

COc1cccc(C=Cc2nc3c(s2)NCCC3)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NFE2L2 Q16236 8/20 0.43
CYP1A1 P04798 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40
PRMT1 Q99873 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8313155 1.00 MAPT (0.45) MAPTKDM4EHSD17B10NFE2L2CYP1A1
Hydrochloric Acid SCHEMBL8454357 0.99 MAPT (0.47) MAPTKDM4EHSD17B10NFE2L2CYP1A1
Hydrochloric Acid SCHEMBL8454360 0.99 MAPT (0.47) MAPTKDM4EHSD17B10NFE2L2CYP1A1
SCHEMBL8311619 0.97 MAPT (0.44) MAPTKDM4EHSD17B10NFE2L2CYP1A1
SCHEMBL8311200 0.97 MAPT (0.44) MAPTKDM4EHSD17B10NFE2L2CYP1A1
SCHEMBL8316367 0.86 PTGS2 (0.41) MAPTKDM4EHSD17B10NFE2L2CYP1A1
SCHEMBL8316364 0.86 PTGS2 (0.41) MAPTKDM4EHSD17B10NFE2L2CYP1A1
SCHEMBL8316370 0.86 PTGS2 (0.41) MAPTKDM4EHSD17B10NFE2L2CYP1A1
SCHEMBL8312878 0.86 MAPT (0.32) MAPTKDM4EHSD17B10NFE2L2CYP1A2
SCHEMBL8312879 0.86 MAPT (0.32) MAPTKDM4EHSD17B10NFE2L2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443588-B1 Condensed thiazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-23 EP claimed
US-5153201-A Inhibitors of lipoperoxide and lipoxygenase; antiischemic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-06 US claimed
EP-0443588-A1 Condensed thiazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP claimed
EP-0443588-B1 Condensed thiazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-23 EP disclosed
US-5153201-A Inhibitors of lipoperoxide and lipoxygenase; antiischemic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-06 US disclosed
EP-0443588-A1 Condensed thiazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-28 EP disclosed