SCHEMBL10401009

SCHEMBL10401009

CN1C(=O)C2=C(CC=CC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MGLL Q99685 1/20 0.35
CASP3 P42574 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11476072 0.72
SCHEMBL17168147 0.69 CASP3 (0.31) GSK3AGSK3BMGLLCASP3
SCHEMBL12406684 0.69 BRD4 (0.36) GSK3AGSK3BMGLLCASP3ALDH1A1
SCHEMBL46223 0.69 ALDH1A1 (0.38) GSK3AGSK3BMGLLCASP3ALDH1A1
SCHEMBL12895935 0.69 ALDH1A1 (0.34) GSK3AGSK3BMGLLCASP3ALDH1A1
SCHEMBL6850987 0.67 GSK3A (0.44) GSK3AGSK3BMGLLCASP3ALDH1A1
SCHEMBL18058915 0.67 CASP3 (0.34) CASP3ALDH1A1MEN1MAPTALOX15
SCHEMBL5958826 0.66 ELANE (0.54) MGLLALDH1A1MEN1MAPTKMT2A
SCHEMBL9799503 0.66 TRPA1 (0.37) GSK3AGSK3BMGLLALDH1A1
SCHEMBL11288297 0.65 PTPRA (0.32)

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-0399351-A2 Epoxy resin and water borne coatings therefrom THE DOW CHEMICAL COMPANY (US) 1990-11-28 EP disclosed
US-4946911-A CONTAINING UNSATURATED IMIDE THE DOW CHEMICAL COMPANY (US) 1990-08-07 US disclosed
US-4211789-A MITICIDES SHELL OIL COMPANY (US) 1980-07-08 US disclosed