SCHEMBL1667884

SCHEMBL1667884

Cc1ccn(C)c1-c1c(C(=N)NO)c2cccnc2n1-c1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.33
REN P00797 3/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
ALDH1A1 P00352 2/20 0.31
FEN1 P39748 1/20 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
SCHEMBL1668168 0.85 USP14 (0.33) USP14RENPDE4BALDH1A1FEN1
SCHEMBL1667883 0.82 NTRK1 (0.33) USP14RENESR1ESR2PDE4A
SCHEMBL1667882 0.82 NTRK1 (0.33) USP14RENESR1ESR2PDE4A
SCHEMBL1667747 0.80 USP14 (0.33) USP14RENALDH1A1
SCHEMBL1667702 0.78 BRD4 (0.36) USP14ESR1ESR2ALDH1A1
SCHEMBL1667778 0.78 USP14 (0.36) USP14RENPDE4APDE4BPDE4C
SCHEMBL1670139 0.77 USP14 (0.32) USP14
SCHEMBL1667678 0.75 FEN1 (0.33) USP14PDE4APDE4BPDE4CPDE4D
SCHEMBL1667733 0.74 FEN1 (0.32) USP14ALDH1A1FEN1
SCHEMBL1668166 0.67 USP14 (0.33) USP14RENFEN1

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 disclosed