SCHEMBL6170308

SCHEMBL6170308

CCn1nc(-c2cccc([N+](=O)[O-])c2)c(C(C)=O)c(Nc2cccc(Br)c2)c1=O.CCn1nc(-c2cccc([N+](=O)[O-])c2)c(C(C)=O)c(Nc2cccc3ccccc23)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.48
▸ ACHE P22303 2/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CFTR P13569 3/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MEN1 O00255 4/20 0.36

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
SCHEMBL4708827 0.92 PDE4B (0.51) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706440 0.92 PDE4B (0.54) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4708421 0.83 PDE4B (0.65) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4707529 0.82 PDE4B (0.54) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706063 0.82 PDE4B (0.54) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706489 0.81 PDE4B (0.70) PDE4BACHEBACE1SMN1; SMN2MAPT
SCHEMBL4707901 0.81 PDE4B (0.65) PDE4BKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL6168738 0.80 PDE4B (0.41) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4707247 0.79 PDE4B (0.75) PDE4BACHEBACE1PDE4APDE4C
SCHEMBL4706532 0.78 PDE4B (0.57) PDE4BKMT2ASMN1; SMN2GAAMAPT

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-1503992-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2005-02-09 — — EP disclosed
WO-2003097613-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AS PDE4 INHIBITORS ALMIRALL PRODESFARMA SA (ES) 2003-11-27 — — WO disclosed
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