SCHEMBL9319384

SCHEMBL9319384

COc1cc2c(cc1OC)[C@H]1CN(C)CC[C@H]1N=C2c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.72
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MCOLN3 Q8TDD5 2/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7390950 1.00 PDE4D (0.72) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL9319919 0.90 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7499687 0.87 PDE4D (0.63) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL11840218 0.87 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL11840227 0.87 PDE4D (0.76) PDE4DPDE4APDE4BPDE4CLMNA
Tolafentrine SCHEMBL29992625 0.84 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
Tolafentrine SCHEMBL8326829 0.84 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL5058869 0.84 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CMAPT
Tolafentrine SCHEMBL4450984 0.84 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT
Tolafentrine SCHEMBL159331 0.84 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CMAPT

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-5346904-A BRONCHODILATOR AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-13 US disclosed