SCHEMBL4781370

SCHEMBL4781370

C=CCc1c(OC)c([N+](=O)[O-])cc2c(C(N)c3ccc4c(c3)OCO4)ncnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
PDE5A O76074 4/20 0.35
PDE2A O00408 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ABCB1 P08183 1/20 0.33
PRMT1 Q99873 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL4781374 0.79 PDE5A (0.59) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL4726725 0.67 PDE11A (0.51) PDE5AALDH1A1NPC1HTT
SCHEMBL4726288 0.66 PDE5A (0.58) PDE5A
SCHEMBL4726006 0.64 PDE11A (0.69) PDE5A
SCHEMBL4728638 0.62 PDE11A (0.64) PDE5A
SCHEMBL27377285 0.59 PDE5A (0.48) PDE5APDE2APDE1APDE1BPDE1C
SCHEMBL1428266 0.58 GAA (0.49) POLBALDH1A1RAB9ANPC1GAA
SCHEMBL29213144 0.58 CYP1A2 (0.48) POLBALDH1A1RAB9ANPC1GAA
SCHEMBL3885787 0.58 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL14829845 0.57 KMT2A (0.45) POLBALDH1A1RAB9ANPC1GAA

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