SCHEMBL7016510

SCHEMBL7016510

CCOC(=O)OC1CCN(c2nc(NCc3ccc(OC)c(OC)c3)c3c(C)csc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
PDE5A O76074 5/20 0.39
ESR1 P03372 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
CCR4 P51679 1/20 0.38
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 2/20 0.37
APP P05067 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
ACHE P22303 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7018914 0.93 PDE5A (0.46) PDE5A
SCHEMBL7022471 0.91 TP53 (0.41) TP53PDE5AESR1CCR4APP
SCHEMBL8180303 0.89 ALDH1A1 (0.49) TP53PDE5AESR1MEN1KMT2A
SCHEMBL7012518 0.88 ESR1 (0.42) PDE5AESR1KMT2ACTNNB1TCF7L2
SCHEMBL7011880 0.88 CTNNB1 (0.45) ESR1CTNNB1TCF7L2ALDH1A1KDM4E
SCHEMBL7016681 0.88 KDM4E (0.40) TP53PDE5AMEN1KMT2APOLB
SCHEMBL7016962 0.87 ESR1 (0.41) PDE5AESR1CTNNB1TCF7L2
SCHEMBL7020386 0.87 MAPT (0.44) TP53MEN1KMT2AALDH1A1KDM4E
SCHEMBL8183548 0.86 PDE4A (0.44) TP53PDE5AESR1CCR4CTNNB1
SCHEMBL7014917 0.86 PDE5A (0.41) TP53PDE5AMEN1KMT2APOLB

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