SCHEMBL7313455

SCHEMBL7313455

CNN(C(=O)CN1Cc2ccc(OCCCC(=O)NN3CCc4ccccc43)cc2N=C1NC(=O)c1ccccc1)c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PRMT5 O14744 5/20 0.31
WDR77 Q9BQA1 4/20 0.31
PDE3B Q13370 3/20 0.31
PDE3A Q14432 3/20 0.31
NPC1 O15118 1/20 0.31
TNF P01375 1/20 0.31
RAB9A P51151 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B3 P37058 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
SCHEMBL7351296 0.91 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317727 0.91 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7320732 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311541 0.84 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPRMT5
SCHEMBL7311518 0.75 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7319183 0.75 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311440 0.72 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7313463 0.70 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7307752 0.69 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309595 0.69 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B

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