SCHEMBL8217826

SCHEMBL8217826

C=CCOc1cc2nc(Cl)nc(NCc3ccc(OC)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.50
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 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
SCHEMBL8218194 0.84 PDE5A (0.55) PDE5ABCDIN3D
SCHEMBL4725990 0.79 MAPK1 (0.59) PDE5AALDH1A1KDM4EHPGDHTT
SCHEMBL4725339 0.79 PDE11A (0.54) PDE5APDE11A
SCHEMBL4725293 0.78 MAPK1 (0.52) PDE5AALDH1A1PDE11AKDM4EHPGD
SCHEMBL27845606 0.77 PDE5A (0.56) PDE5A
SCHEMBL7502930 0.73 PDE5A (0.64) PDE5ABCDIN3D
SCHEMBL4728689 0.73 PDE5A (0.55) PDE5AALDH1A1PDE11AKDM4EHPGD
SCHEMBL4727580 0.73 PDE5A (0.55) PDE5AALDH1A1KDM4EHPGDHTT
SCHEMBL5118817 0.73 PDE5A (0.54) PDE5ABCDIN3D
SCHEMBL7498505 0.73 PDE5A (0.55) PDE5ABCDIN3D

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-2008020711-A1 QUINAZOLINE DERIVATIVE AS PHOSPHODIESTERASE INHIBITOR AND A PROCESS FOR PREPARING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-02-21 WO disclosed