SCHEMBL7014917

SCHEMBL7014917

CCOC(=O)OC1CCN(c2nc(NCc3ccc(OC)c(OC)c3)c3c(Cl)c(C)sc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.41
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CCR4 P51679 1/20 0.38
PDE2A O00408 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 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
SCHEMBL7017615 0.95 PDE5A (0.46) PDE5A
SCHEMBL7016681 0.92 KDM4E (0.40) PDE5AKMT2ATP53PDE2APDE3B
SCHEMBL7019915 0.92 PDE5A (0.42) PDE5ATP53CCR4TSHR
SCHEMBL7018206 0.90 KMT2A (0.40) PDE5AKMT2APDE2ATSHR
SCHEMBL8186510 0.89 ALDH1A1 (0.48) PDE5AKMT2ATP53MEN1POLB
SCHEMBL7017441 0.89 PDE5A (0.46) PDE5A
SCHEMBL7013874 0.88 KDM4E (0.43) KMT2ATHRB
SCHEMBL7008973 0.88 KMT2A (0.42) PDE5AKMT2AMEN1
SCHEMBL7422776 0.87 CCR4 (0.42) PDE5ATP53CCR4
SCHEMBL7018507 0.87 PDE5A (0.48) PDE5A

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 1 patent. 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