SCHEMBL1758679

SCHEMBL1758679

O=C(Cc1csc(N(CCC23CC4CC(CC(C4)C2)C3)C(=O)O)n1)NO

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.41
KDM4E B2RXH2 2/20 0.41
PDE1A P54750 5/20 0.39
PDE1B Q01064 5/20 0.39
PDE1C Q14123 5/20 0.39
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL1758740 0.94 PDE5A (0.37) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758697 0.90 PDE5A (0.40) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758935 0.83 PDE5A (0.39) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758659 0.80 PDE5A (0.38) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758680 0.77 ALDH1A1 (0.42) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758672 0.76 HDAC1 (0.41) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758713 0.75 PDE5A (0.54) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758936 0.73 MAPT (0.38) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1759205 0.71 CNR2 (0.62) PDE5AKDM4EPDE1APDE1BPDE1C
SCHEMBL1758649 0.70 EPHX2 (0.63) PDE5AKDM4EPDE1APDE1BPDE1C

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-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO claimed
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed