SCHEMBL7065703

SCHEMBL7065703

O=C(Nc1c(Cl)cncc1Cl)c1ccccc1OC(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PDE4D Q08499 8/20 0.52
PDE4B Q07343 8/20 0.52
PDE4C Q08493 4/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.49

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
SCHEMBL29824898 0.83 PDE4D (0.47) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL8664428 0.83 PDE4D (0.47) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL2889923 0.78 PDE4D (0.74) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL30084849 0.78 PDE4D (0.74) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL2518447 0.77 PDE4D (0.66) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL5539750 0.77 PDE4D (0.51) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL8270336 0.77 PDE4D (0.51) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL5017912 0.77 PDE4B (0.71) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL717213 0.76 PDE4D (0.66) PDE4APDE4DPDE4BPDE4CABCB11
SCHEMBL71763 0.76 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CABCB11

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
WO-2004098598-A1 COMPOSITION COMPRISING ROFLUMILAST AND A TNFα ANTAGONIST ALTANA PHARMA AG (DE) 2004-11-18 WO disclosed