SCHEMBL5603367

SCHEMBL5603367

O=C(O)Nc1nc(CC(=O)NCCCC(=O)NO)cs1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.58
PDE1A P54750 7/20 0.56
PDE1B Q01064 7/20 0.56
PDE1C Q14123 7/20 0.56
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 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
SCHEMBL5602775 0.95 PDE5A (0.62) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3607475 0.85 PDE5A (0.70) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8246208 0.81 PDE5A (0.48) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL13316921 0.80 PDE5A (0.48) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8249160 0.79 PDE5A (0.47) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL13316920 0.77 PDE5A (0.52) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8245321 0.76 PDE5A (0.46) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL13316922 0.76 PDE5A (0.52) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL13316917 0.75 PDE5A (0.46) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL8239311 0.75 PDE5A (0.50) PDE5APDE1APDE1BPDE1CKDM4E

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-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO disclosed