SCHEMBL7022471

SCHEMBL7022471

COc1ccc(CNc2nc(N3CCC(OC(=O)O)CC3)nc3scc(C)c23)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
PDE5A O76074 3/20 0.40
ESR1 P03372 1/20 0.40
CCR4 P51679 1/20 0.39
APP P05067 5/20 0.38
ACHE P22303 4/20 0.38
BCHE P06276 1/20 0.38
SYK P43405 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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
SCHEMBL7015450 0.93 PDE5A (0.48) PDE5A
SCHEMBL7016510 0.91 TP53 (0.40) TP53PDE5AESR1CCR4APP
SCHEMBL8183548 0.90 PDE4A (0.44) TP53PDE5AESR1CCR4APP
SCHEMBL7018352 0.88 ESR1 (0.44) PDE5AESR1
SCHEMBL7013793 0.88 CTNNB1 (0.45) ESR1
SCHEMBL7018707 0.87 ESR1 (0.44) PDE5AESR1NPSR1
SCHEMBL7015293 0.87 TP53 (0.41) TP53PDE5ACCR4APPACHE
SCHEMBL8180303 0.86 ALDH1A1 (0.49) TP53PDE5AESR1SMN1; SMN2
SCHEMBL7019915 0.86 PDE5A (0.42) TP53PDE5ACCR4APP
SCHEMBL7014926 0.86 PDE4A (0.46) TP53PDE5AESR1NPSR1

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