SCHEMBL7014271

SCHEMBL7014271

COc1ccc(CNc2nc(N3CCC(OC(=O)O)CC3)nc3sc(C)cc23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.42
ACHE P22303 6/20 0.42
BCHE P06276 3/20 0.42
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
CCR4 P51679 1/20 0.41
PDE5A O76074 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL7016738 0.93 PDE5A (0.48) PDE5A
SCHEMBL7014745 0.91 APP (0.41) APPACHEBCHETP53NPC1
SCHEMBL7011635 0.91 CCR4 (0.44) APPACHEBCHETP53CCR4
SCHEMBL7015416 0.90 ACHE (0.41) APPACHEBCHETP53CCR4
SCHEMBL8179769 0.90 PDE4A (0.49) APPACHEBCHETP53NPC1
SCHEMBL7016859 0.89 ACHE (0.40) APPACHEBCHETP53CCR4
SCHEMBL7021443 0.88 PDE5A (0.41) APPACHEBCHETP53CCR4
SCHEMBL7017442 0.88 CTNNB1 (0.49) HRH4
SCHEMBL7016359 0.88 HRH4 (0.47) PDE5AHRH4
SCHEMBL7011197 0.88 PDE4A (0.43) 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