SCHEMBL17243620

SCHEMBL17243620

O=C(NC1CC1)c1nn(-c2cccc(S(=O)(=O)c3ccc[n+]([O-])c3)c2)c2ncccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.54
PDE4B Q07343 11/20 0.54
PDE4C Q08493 11/20 0.54
PDE4D Q08499 11/20 0.54
KCNH2 Q12809 8/20 0.54
CYP2C9 P11712 2/20 0.54
ELANE P08246 1/20 0.43
RIPK1 Q13546 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
SCHEMBL17243616 0.88 KCNH2 (0.52) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17243622 0.87 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17243619 0.86 PDE4B (0.54) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17233514 0.86 KCNH2 (0.73) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17243624 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17243615 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17243636 0.82 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17243623 0.81 ELANE (0.42) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17233517 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL17243930 0.80 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DKCNH2

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-9181244-B1 Substituted pyrido[2,3-c]pyridazin-4(1H)-ones as tumor necrosis factor alpha and phosphodiesterase 4 inhibitors Xuanzhu Pharma Co., Ltd. (CN) 2015-11-10 US disclosed