Sugi Predict

Sugi Predict / Compounds / SCHEMBL4726288

SCHEMBL4726288

SCHEMBL4726288

C=CCc1c(OC)c([N+](=O)[O-])cc2c(NCc3ccc(OC)c(OC)c3)ncnc12

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.58
▸ PDE11A Q9HCR9 2/20 0.58
▸ TNF P01375 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ STAT1 P42224 1/20 0.46

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
SCHEMBL4726006 0.92 PDE11A (0.69) PDE5APDE11A
SCHEMBL4726725 0.89 PDE11A (0.51) PDE5APDE11A
SCHEMBL4728638 0.88 PDE11A (0.64) PDE5APDE11A
SCHEMBL4781374 0.86 PDE5A (0.59) PDE5APDE11A
SCHEMBL4727824 0.85 PDE11A (0.65) PDE11A
SCHEMBL4726841 0.83 PDE11A (0.60) PDE11A
SCHEMBL4727805 0.83 PDE11A (0.63) PDE11A
SCHEMBL4727323 0.82 PDE11A (0.64) PDE11A
SCHEMBL4726937 0.82 PDE11A (0.62) PDE11A
SCHEMBL4725339 0.80 PDE11A (0.54) PDE5APDE11A

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 2 patents. 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 claimed
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