SCHEMBL7425142

SCHEMBL7425142

CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(S(=O)(=O)N3CCOCC3)ccc1OCCC)n2C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.57
KDM4E B2RXH2 2/20 0.57
XBP1 P17861 1/20 0.57
PDE6C P51160 1/20 0.50
PDE11A Q9HCR9 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7427820 0.86 PDE5A (0.58) PDE5AKDM4EXBP1PDE6CPDE11A
SCHEMBL7541539 0.84 PDE5A (0.62) PDE5APDE6CPDE11A
SCHEMBL5827475 0.83 PDE5A (0.75) PDE5APDE6CPDE11A
SCHEMBL5827664 0.82 PDE5A (0.74) PDE5APDE6CPDE11A
SCHEMBL973387 0.75 PDE5A (0.75) PDE5APDE6CPDE11A
SCHEMBL3836975 0.75 PDE5A (0.76) PDE5APDE6CPDE11A
SCHEMBL5827328 0.74 PDE5A (0.89) PDE5APDE6CPDE11A
SCHEMBL5827394 0.74 PDE5A (0.59) PDE5A
SCHEMBL5827707 0.74 PDE5A (0.77) PDE5APDE6CPDE11A
SCHEMBL5827741 0.74 PDE5A (0.88) PDE5APDE6CPDE11A

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-1999062905-A1 8-PHENYLXANTHINE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 1999-12-09 WO disclosed