SCHEMBL7433679

SCHEMBL7433679

O=[N+]([O-])c1cccc(-c2cc(CNc3ccccc3)cc3cccnc23)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.66
PDE4B Q07343 3/20 0.66
PDE4D Q08499 10/20 0.54
PDE4C Q08493 6/20 0.54
TOP1 P11387 1/20 0.53
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
PDE5A O76074 1/20 0.44

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
SCHEMBL7435677 0.85 PDE4A (0.85) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441893 0.82 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7450694 0.82 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7439484 0.81 PDE4A (0.71) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL3698956 0.80 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7436289 0.80 PDE4A (0.70) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7443615 0.80 PDE4A (0.70) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7437116 0.80 PDE4A (0.70) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL29367114 0.80 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7440005 0.79 PDE4A (0.69) PDE4APDE4BPDE4DPDE4CTOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
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