SCHEMBL7018879

SCHEMBL7018879

O=C(O)OC1CCN(c2nc(NCc3cccc([N+](=O)[O-])c3)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.42
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MET P08581 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
F10 P00742 1/20 0.37
VCP P55072 1/20 0.36
PDE2A O00408 1/20 0.36
PDE4A P27815 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL7019173 0.93 PDE5A (0.42) PDE5AKDM4EMAPTHRH4PDE4A
SCHEMBL7020117 0.92 PDE5A (0.42) PDE5AJAK2JAK3PTK2ALDH1A1
SCHEMBL7015155 0.92 PDE5A (0.42) PDE5AJAK2JAK3PTK2ALDH1A1
SCHEMBL7015708 0.90 MET (0.39) PDE5AJAK2JAK3PTK2ALDH1A1
SCHEMBL7016414 0.90 PDE5A (0.41) PDE5AJAK2JAK3PTK2ALDH1A1
SCHEMBL8178712 0.90 PDE4A (0.46) PDE5AJAK2JAK3PTK2ALDH1A1
SCHEMBL7013401 0.89 MET (0.40) PDE5AMET
SCHEMBL7018532 0.88 CTNNB1 (0.44) HRH4
SCHEMBL7021443 0.88 PDE5A (0.41) PDE5AALDH1A1MEN1MAPTKMT2A
SCHEMBL7013944 0.88 PDE5A (0.41) PDE5AHRH4PDE2APDE4APDE1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed