SCHEMBL6255980

SCHEMBL6255980

O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(O)cc2)c2ccc(O)cc12

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.89
PDE4B Q07343 19/20 0.89
PDE4C Q08493 19/20 0.89
PDE4D Q08499 19/20 0.89
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50

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
Awd-12-281 SCHEMBL29413256 0.94 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTUBB4A
Awd-12-281 SCHEMBL155120 0.94 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTUBB4A
Awd-12-281 SCHEMBL5638136 0.93 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DTUBB4A
Awd-12-281 SCHEMBL5638122 0.93 PDE4A (0.98) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL13111734 0.88 PDE4B (0.73) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL3101476 0.88 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL5636420 0.86 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL5637135 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL5637675 0.86 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL5636589 0.85 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116501-A1 Treatment of nonallergic rhinitis by selective phosphodiesterase 4 inhibitors ELBION AG (DE) 2004-06-17 US claimed
EP-1534272-A2 TREATMENT OF NON-ALLERGIC RHINITIS BY MEANS OF SELECTIVE PHOSPHODIESTERASE-4 INHIBITORS Elbion AG (DE) 2005-06-01 EP disclosed
US-20040116501-A1 Treatment of nonallergic rhinitis by selective phosphodiesterase 4 inhibitors ELBION AG (DE) 2004-06-17 US disclosed
WO-2004022041-A2 TREATMENT OF NON-ALLERGIC RHINITIS BY MEANS OF SELECTIVE PHOSPHODIESTERASE-4 INHIBITORS ELBION AG (DE) 2004-03-18 WO disclosed