SCHEMBL4725293

SCHEMBL4725293

C=C(C)COc1cc2ncnc(NCc3ccc(OC)c(Cl)c3)c2cc1[N+](=O)[O-]

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
PDE5A O76074 1/20 0.51
HTT P42858 3/20 0.50
STAT1 P42224 1/20 0.50
RAF1 P04049 1/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ERBB2 P04626 1/20 0.47
EGFR P00533 4/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
PDE11A Q9HCR9 2/20 0.47

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
SCHEMBL4725990 0.92 MAPK1 (0.59) MAPK1PDE5AHTTSTAT1RAF1
SCHEMBL4728689 0.87 PDE5A (0.55) MAPK1PDE5AHTTSTAT1RAF1
SCHEMBL4727580 0.85 PDE5A (0.55) MAPK1PDE5AHTTSTAT1RAF1
SCHEMBL7473060 0.82 STAT1 (0.64) MAPK1PDE5AHTTSTAT1RAF1
SCHEMBL4725805 0.81 PDE11A (0.58) PDE11A
SCHEMBL4780205 0.81 PDE11A (0.54) PDE11A
SCHEMBL7544551 0.79 STAT1 (0.61) MAPK1PDE5AHTTSTAT1RAF1
SCHEMBL7465501 0.78 STAT1 (0.56) MAPK1PDE5AHTTSTAT1RAF1
SCHEMBL8217826 0.78 PDE5A (0.50) PDE5AHTTKDM4EALDH1A1HPGD
SCHEMBL4778469 0.77 MAPK1 (0.65) MAPK1PDE5AHTTSTAT1RAF1

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