SCHEMBL7449137

SCHEMBL7449137

O=[N+]([O-])c1cccc(-c2cc(CN3CCCC3)cc3cccnc23)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.66
PDE4B Q07343 3/20 0.66
PDE4D Q08499 11/20 0.50
PDE4C Q08493 6/20 0.49
TOP1 P11387 1/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42

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
Hydrochloric Acid SCHEMBL7438842 0.99 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL8544271 0.85 PDE4A (0.61) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7440005 0.85 PDE4A (0.69) PDE4APDE4BPDE4DPDE4CTOP1
Hydrochloric Acid SCHEMBL7440541 0.84 PDE4A (0.67) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441893 0.82 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7450694 0.82 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7437841 0.82 PDE4A (0.58) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441455 0.81 PDE4A (0.66) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7446386 0.81 PDE4A (0.69) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7435677 0.81 PDE4A (0.85) 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