SCHEMBL7016859

SCHEMBL7016859

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.40
APP P05067 6/20 0.40
BCHE P06276 3/20 0.40
TP53 P04637 2/20 0.40
CCR4 P51679 1/20 0.39
CTNNB1 P35222 4/20 0.39
TCF7L2 Q9NQB0 4/20 0.39
PDE5A O76074 2/20 0.39
SLC2A1 P11166 1/20 0.38
WHR1 P49842 1/20 0.38

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
SCHEMBL7016530 0.93 PDE5A (0.47) PDE5A
SCHEMBL7013933 0.92 APP (0.39) ACHEAPPBCHETP53CCR4
SCHEMBL8180973 0.91 PDE4A (0.46) ACHEAPPBCHETP53CCR4
SCHEMBL7015416 0.89 ACHE (0.41) ACHEAPPBCHETP53CCR4
SCHEMBL7014271 0.89 APP (0.42) ACHEAPPBCHETP53CCR4
SCHEMBL7012148 0.89 CTNNB1 (0.48) CTNNB1TCF7L2
SCHEMBL7011635 0.88 CCR4 (0.44) ACHEAPPBCHETP53CCR4
SCHEMBL7019976 0.88 PDE5A (0.43) CTNNB1TCF7L2PDE5A
SCHEMBL7019018 0.88 CTNNB1 (0.42) CTNNB1TCF7L2PDE5A
SCHEMBL8169893 0.87 ALDH1A1 (0.47) TP53CCR4CTNNB1TCF7L2PDE5A

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