SCHEMBL8316802

SCHEMBL8316802

CC(C)Oc1ccc(/C=C/c2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.35
WDR5 P61964 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ADRA2A P08913 1/20 0.32
GPR65 Q8IYL9 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
ATP4A P20648 2/20 0.30
ATP4B P51164 2/20 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
SCHEMBL8316803 1.00 ALDH1A3 (0.35) ALDH1A3WDR5CA12CA1CA2
SCHEMBL8317001 0.87 KDM4E (0.42) POLBMAPTKDM4E
SCHEMBL8317005 0.87 KDM4E (0.42) POLBMAPTKDM4E
SCHEMBL8315652 0.85 LMNA (0.39) MAPTKDM4E
SCHEMBL8315650 0.85 LMNA (0.39) MAPTKDM4E
SCHEMBL8316305 0.84 MAPT (0.42) POLBMAPTATP4AATP4B
SCHEMBL8316303 0.84 MAPT (0.42) POLBMAPTATP4AATP4B
SCHEMBL8316004 0.83 FGF23 (0.36) POLBMAPTKDM4EATP4AATP4B
SCHEMBL8316008 0.83 FGF23 (0.36) POLBMAPTKDM4EATP4AATP4B
SCHEMBL8313756 0.81 KDM4E (0.34) MAPTKDM4EATP4AATP4B

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 3 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 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-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed