SCHEMBL1667769

SCHEMBL1667769

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.39
KDM4E B2RXH2 1/20 0.39
USP14 P54578 1/20 0.37
KDM4D Q6B0I6 2/20 0.35
FEN1 P39748 1/20 0.34
KCNMA1 Q12791 1/20 0.32
PIK3CG P48736 1/20 0.32
PPARG P37231 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL1667597 0.87 ELANE (0.38) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1667600 0.87 ELANE (0.38) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1667598 0.87 ELANE (0.38) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1667576 0.80 KDM4E (0.41) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1667703 0.78 USP14 (0.41) ELANEKDM4EUSP14KDM4DFEN1
SCHEMBL1667847 0.76 USP14 (0.46) ELANEKDM4EUSP14FEN1KCNMA1
SCHEMBL1667677 0.75 NTRK1 (0.34) USP14FEN1PPARGPDE4APDE4B
SCHEMBL1667676 0.75 NTRK1 (0.34) USP14FEN1PPARGPDE4APDE4B
SCHEMBL1667678 0.75 FEN1 (0.33) USP14FEN1PPARGPDE4APDE4B
SCHEMBL1667710 0.74 USP14 (0.39) ELANEKDM4EUSP14KDM4DPDE4B

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 1 patent. 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