SCHEMBL8544271

SCHEMBL8544271

O=C1CCCN1Cc1cc(-c2cccc([N+](=O)[O-])c2)c2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.61
PDE4B Q07343 3/20 0.61
PDE4D Q08499 11/20 0.46
PDE4C Q08493 6/20 0.45
TOP1 P11387 1/20 0.44
P2RX7 Q99572 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL7449137 0.85 PDE4A (0.66) PDE4APDE4BPDE4DPDE4CTOP1
Hydrochloric Acid SCHEMBL7438842 0.84 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7440005 0.81 PDE4A (0.69) PDE4APDE4BPDE4DPDE4CTOP1
Hydrochloric Acid SCHEMBL7440541 0.80 PDE4A (0.67) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441893 0.78 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7450694 0.78 PDE4A (0.74) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL3788376 0.78 PELI1 (0.46) PDE4BP2RX7IRAK4
SCHEMBL7437116 0.78 PDE4A (0.70) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7446433 0.77 PDE4A (0.61) PDE4APDE4BPDE4DPDE4CTOP1
SCHEMBL7441455 0.77 PDE4A (0.66) 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 1 patent. 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