SCHEMBL7738892

SCHEMBL7738892

CC(C)=CCn1nc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 1.00
PDE4D Q08499 12/20 0.67
PDE4C Q08493 7/20 0.67
PDE4B Q07343 4/20 0.67
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
RXFP1 Q9HBX9 1/20 0.41
IDO1 P14902 1/20 0.41
CFTR P13569 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7359713 0.86 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7363642 0.81 PDE4A (0.87) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL7139813 0.81 PDE4A (0.68) PDE4APDE4DPDE4CPDE4BMEN1
SCHEMBL8697092 0.80 PDE4A (0.75) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL6636364 0.80 PDE4A (0.71) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427010 0.80 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL31427009 0.80 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL6637552 0.80 PDE4A (1.00) PDE4APDE4DPDE4CPDE4BPDE3B
Pyridopyridazinone SCHEMBL7367220 0.80 PDE4A (0.98) PDE4APDE4DPDE4CPDE4BPDE3B
SCHEMBL8693550 0.79 PDE4A (0.65) PDE4APDE4DPDE4CPDE4BPDE3B

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
WO-2001011933-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A 7-(2-AMINOETHYL)-BENZOTHIAZOLONE AND A PDE4 INHIBITOR ASTRAZENECA UK LIMITED (GB) 2001-02-22 WO claimed
WO-2001011933-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A 7-(2-AMINOETHYL)-BENZOTHIAZOLONE AND A PDE4 INHIBITOR ASTRAZENECA UK LIMITED (GB) 2001-02-22 WO disclosed