SCHEMBL7015155

SCHEMBL7015155

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.42
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE2A O00408 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
PTK2 Q05397 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 3/20 0.38
KCNN3 Q9UGI6 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL7018879 0.92 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7020117 0.91 PDE5A (0.42) PDE5AJAK2JAK3PTK2MEN1
SCHEMBL7015295 0.90 MET (0.40) PDE5AJAK2JAK3PTK2HRH4
SCHEMBL8171169 0.90 PDE4A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7016414 0.89 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7013401 0.89 MET (0.40) PDE5AMET
SCHEMBL7020325 0.89 HRH4 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7018546 0.86 JAK2 (0.40) PDE5AJAK2JAK3PTK2ALDH1A1
SCHEMBL8185534 0.86 MAPT (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7020576 0.85 PDE4A (0.44) PDE5APDE4APDE4BPDE4CPDE4D

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