SCHEMBL12824019

SCHEMBL12824019

Cc1nc(C)n2nc(-c3ccccc3O)[nH]c(=O)c12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.65
PDE1A P54750 4/20 0.65
PDE1B Q01064 4/20 0.65
PDE1C Q14123 4/20 0.65
KDM4E B2RXH2 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
GUSB P08236 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
PIM1 P11309 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 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
SCHEMBL13533558 0.82 PDE5A (0.77) PDE5APDE1APDE1BPDE1CGUSB
SCHEMBL1513983 0.81 PDE5A (0.60) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL972561 0.79 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5916396 0.76 PDE5A (0.59) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL12823745 0.75 PDE5A (0.57) PDE5APDE1APDE1BPDE1CHPGD
SCHEMBL8358527 0.74 PDE5A (0.53) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5916404 0.74 PDE5A (0.53) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL12823742 0.73 PDE5A (0.51) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL12823968 0.73 PDE5A (0.63) PDE5APDE1APDE1BPDE1C
SCHEMBL5619914 0.73 PDE5A (0.52) PDE5APDE1APDE1BPDE1C

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-2295436-A1 2-Phenyl-subsitituted Imidazotriazinones as Phosphodiesterase V inhibitors Bayer Schering Pharma AG (DE) 2011-03-16 EP disclosed