SCHEMBL7311518

SCHEMBL7311518

CN(C)c1ccccc1OC(=O)CN1Cc2ccc(OCCCC(=O)NN3CCc4ccccc43)cc2N=C1NC(=O)NCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 6/20 0.36
PDE4B Q07343 6/20 0.36
PDE4C Q08493 6/20 0.36
PDE4D Q08499 6/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
AURKA O14965 4/20 0.33
AURKB Q96GD4 4/20 0.33
TP53 P04637 3/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
MAPT P10636 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
SCHEMBL7311541 0.91 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7319183 0.90 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311440 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311511 0.85 ALDH1A1 (0.35) ALDH1A1MEN1GAAKMT2APDE4A
SCHEMBL7317727 0.85 ALDH1A1 (0.37) ALDH1A1MEN1GAAKMT2APDE4A
SCHEMBL7317733 0.77 ALDH1A1 (0.38) ALDH1A1MEN1GAAKMT2APDE4A
SCHEMBL7319179 0.76 LCK (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7311535 0.76 MAPT (0.37) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7351296 0.75 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313455 0.75 PDE4A (0.36) MEN1KMT2APDE4APDE4BPDE4C

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