SCHEMBL7311511

SCHEMBL7311511

CN(C)c1ccccc1OC(=O)CN1Cc2ccc(OCCC(C(N)=O)N3CCc4ccccc43)cc2N=C1NC(=O)NCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 10/20 0.32
AURKA O14965 4/20 0.32
AURKB Q96GD4 4/20 0.32
LMNA P02545 6/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
TP53 P04637 5/20 0.31
POLB P06746 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
SCHEMBL7311535 0.91 MAPT (0.37) MAPTLMNAPDE4APDE4BPDE4C
SCHEMBL7317733 0.91 ALDH1A1 (0.38) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL7319179 0.91 LCK (0.36) MAPTLMNAPDE4APDE4BPDE4C
SCHEMBL7311435 0.86 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311518 0.85 ALDH1A1 (0.37) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL7313463 0.81 PDE4A (0.35) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL7351300 0.81 LCK (0.36) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL7320735 0.77 PDE4A (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7307197 0.77 PDE4A (0.36) ALDH1A1MAPTLMNAKDM4EPDE4A
SCHEMBL7319183 0.76 PDE4A (0.37) PDE4APDE4BPDE4CPDE4D

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