SCHEMBL5505673

SCHEMBL5505673

O=C(Nc1c(Cl)cnc(O)c1Cl)c1ccc(OC(F)F)c2oc3cnncc3c12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.54
PDE4B Q07343 15/20 0.45
PDE4A P27815 13/20 0.44
PDE4C Q08493 12/20 0.44
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4573772 0.90 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5504845 0.89 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL73200 0.88 PDE4D (0.67) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL73641 0.87 PDE4D (0.66) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL72937 0.78 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL75216 0.77 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL75217 0.77 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL5017912 0.77 PDE4B (0.71) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL73553 0.76 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL72686 0.75 PDE4D (0.66) PDE4DPDE4BPDE4APDE4C

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
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP disclosed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO disclosed