SCHEMBL8045086

SCHEMBL8045086

CCCc1nn(C)c2c(=O)[nH]c(N(C)CC3CCCCC3)nc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.47
PDE3A Q14432 3/20 0.47
PDE3B Q13370 2/20 0.47
MTOR P42345 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
TERT O14746 2/20 0.42
PDE6C P51160 1/20 0.40
HDAC1 Q13547 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC2 Q92769 1/20 0.37

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
SCHEMBL8049072 0.90 PDE5A (0.48) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL3993298 0.86 PDE5A (0.44) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL8047604 0.83 PDE5A (0.42) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL4902339 0.82 PDE5A (0.55) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL4136868 0.80 PDE5A (0.44) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL4136067 0.80 PDE5A (0.40) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL8031454 0.79 PDE5A (0.44) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL4132769 0.78 PDE5A (0.42) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL8037857 0.78 PDE5A (0.42) PDE5APDE3APDE3BMTORKMT2A
SCHEMBL8045083 0.77 PDE5A (0.48) PDE5APDE3APDE3BMTORKMT2A

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-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed