SCHEMBL7899630

SCHEMBL7899630

CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc2c(C(CC)CCc3ccccc3)cccc2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.58
PDE6D O43924 1/20 0.48
PDE6A P16499 1/20 0.48
PDE6G P18545 1/20 0.48
PDE6B P35913 1/20 0.48
PDE6C P51160 1/20 0.48
PDE6H Q13956 1/20 0.48

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
SCHEMBL7902715 0.90 PDE5A (0.59) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7904959 0.83 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7902714 0.83 PDE5A (0.55) PDE5APDE6C
SCHEMBL7899531 0.81 PDE5A (0.52) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7904974 0.81 PDE5A (0.56) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7901187 0.81 PDE5A (0.55) PDE5APDE6C
SCHEMBL7904851 0.77 PDE5A (0.58) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7901281 0.77 PDE5A (0.57) PDE5APDE6C
SCHEMBL8155860 0.76 PDE5A (0.56) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL8141468 0.76 PDE5A (0.56) PDE5APDE6DPDE6APDE6GPDE6B

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
US-6187779-B1 ADMINISTERING ANTITUMOR AGENTS TO TREAT COLON CANCER CELL PATHWAYS, INC. 2001-02-13 US disclosed
EP-0722937-A1 2,8-Disubstituted quinazolinone BAYER AG (DE) 1996-07-24 EP disclosed