SCHEMBL7019169

SCHEMBL7019169

CCOC(=O)OC1CCN(c2nc(NCc3ccc(OC)c(OC)c3)c3cc([N+](=O)[O-])sc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.39
APP P05067 5/20 0.38
ACHE P22303 4/20 0.38
TP53 P04637 1/20 0.37
CCR4 P51679 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
BCHE P06276 1/20 0.36
PDE2A O00408 1/20 0.36
POLB P06746 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
SCHEMBL7015126 0.94 PDE5A (0.47) PDE5A
SCHEMBL7021443 0.91 PDE5A (0.41) PDE5AAPPACHETP53CCR4
SCHEMBL8185685 0.90 ALDH1A1 (0.46) PDE5ATP53ALDH1A1MAPTCASP6
SCHEMBL7017176 0.90 CTNNB1 (0.46) CTNNB1TCF7L2
SCHEMBL7014745 0.90 APP (0.41) PDE5AAPPACHETP53CCR4
SCHEMBL7015106 0.89 PDE5A (0.38) PDE5AALDH1A1CTNNB1TCF7L2PDE2A
SCHEMBL7015708 0.89 MET (0.39) PDE5AALDH1A1CTNNB1TCF7L2PDE3B
SCHEMBL7017521 0.89 HRH4 (0.41) PDE5ACTNNB1TCF7L2
SCHEMBL7016913 0.88 APP (0.40) PDE5AAPPACHETP53CCR4
SCHEMBL7422776 0.88 CCR4 (0.42) PDE5AAPPACHETP53CCR4

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