SCHEMBL8326810

SCHEMBL8326810

COc1ccc(S(=O)(=O)Nc2ccc(C3=N[C@@H]4CCN(C)C[C@@H]4c4cc(OC)c(OC)cc43)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.87
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PLAU P00749 3/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RXRA P19793 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN5 P54829 1/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL8326816 1.00 PDE4D (0.87) PDE4DPDE4APDE4BPDE4CPLAU
Tolafentrine SCHEMBL159331 0.93 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CALDH1A1
Tolafentrine SCHEMBL29992625 0.93 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CALDH1A1
Tolafentrine SCHEMBL8326829 0.93 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CALDH1A1
Tolafentrine SCHEMBL4450984 0.93 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7356412 0.92 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7356403 0.92 PDE4D (0.86) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7210124 0.88 PDE4D (0.89) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7211678 0.88 PDE4D (0.89) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL8330131 0.88 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528922-B1 NEW SULFONYL COMPOUNDS BYK GULDEN LOMBERG CHEM FAB (DE) 1999-06-16 EP disclosed
US-5346904-A BRONCHODILATOR AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-09-13 US disclosed