SCHEMBL7314035

SCHEMBL7314035

CCNC(=O)NC1=Nc2cc(OCCC(C(N)=O)N3CCCCC3)ccc2CN1CC(=O)NCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
AURKA O14965 4/20 0.35
AURKB Q96GD4 4/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7316523 0.92 PDE4A (0.39) LMNATP53MAPTAURKAAURKB
SCHEMBL7318898 0.91 PDE4A (0.38) LMNATP53MAPTAURKAAURKB
SCHEMBL7310209 0.90 PDE4A (0.39) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL7316039 0.87 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL7306170 0.87 PDE4A (0.42) LMNATP53MAPTPDE4APDE4B
SCHEMBL7316975 0.85 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7314040 0.84 LMNA (0.41) LMNATP53MAPTAURKAAURKB
SCHEMBL7311017 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7312710 0.81 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7305497 0.78 PDE4A (0.40) MAPTPDE4APDE4BPDE4CPDE4D

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
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed