SCHEMBL1667598

SCHEMBL1667598

C/C=C(\C)c1c(C#N)c2cccnc2n1-c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.38
KDM4E B2RXH2 1/20 0.38
USP14 P54578 1/20 0.37
KDM4D Q6B0I6 2/20 0.34
FEN1 P39748 1/20 0.34
APP P05067 1/20 0.32
PPARG P37231 1/20 0.32
KCNMA1 Q12791 1/20 0.32
PIK3CG P48736 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL1667597 1.00 ELANE (0.38) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1667600 1.00 ELANE (0.38) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1667769 0.87 ELANE (0.39) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1075173 0.80 ALDH1A1 (0.40) KDM4EUSP14PPARG
SCHEMBL1075175 0.80 ALDH1A1 (0.40) KDM4EUSP14PPARG
SCHEMBL1075176 0.80 ALDH1A1 (0.40) KDM4EUSP14PPARG
SCHEMBL1667574 0.80 FEN1 (0.40) KDM4EFEN1PPARGPDE4APDE4B
SCHEMBL1667571 0.80 FEN1 (0.40) KDM4EFEN1PPARGPDE4APDE4B
SCHEMBL12797903 0.80 FEN1 (0.34) FEN1APPPPARGPDE4APDE4B
SCHEMBL1667570 0.80 FEN1 (0.40) KDM4EFEN1PPARGPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO claimed
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed