SCHEMBL7445324

SCHEMBL7445324

O=[N+]([O-])c1cccc(-c2cccc3cccnc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.71
PDE4A P27815 8/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 5/20 0.61
TOP1 P11387 1/20 0.58
PDE10A Q9Y233 1/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.53
KDR P35968 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL7438217 0.85 PDE4A (0.65) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL7433402 0.83 PDE4A (0.65) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL7441260 0.82 PDE4A (0.61) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL7441893 0.82 PDE4A (0.74) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL7443605 0.82 PDE4A (0.61) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL7450694 0.82 PDE4A (0.74) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL7437116 0.82 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CTOP1
Hydrochloric Acid SCHEMBL9130372 0.81 PDE4A (0.60) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL23293733 0.81 MAP4K4 (0.59) PDE4DPDE4APDE4BPDE4CTOP1
SCHEMBL27652747 0.81 PDE4D (0.53) PDE4DPDE4APDE4BPDE4CTOP1

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-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed