SCHEMBL7017130

SCHEMBL7017130

COc1ccc(CNc2nc(N3CCC(OC(=O)O)CC3)nc3sc4c(c23)CCCC4)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.46
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7013924 0.93 MAPT (0.45) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL7010973 0.92 MAPT (0.44) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL7011555 0.92 PDE5A (0.44) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL8177973 0.91 PDE5A (0.51) PDE5A
SCHEMBL7018507 0.88 PDE5A (0.48) PDE5A
SCHEMBL7020191 0.87 PDE5A (0.48) PDE5A
SCHEMBL8178637 0.87 PDE5A (0.45) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL7009771 0.86 PDE5A (0.50) PDE5AMEN1MAPTHTTKMT2A
SCHEMBL7015450 0.86 PDE5A (0.48) PDE5A
SCHEMBL5778132 0.85 KDM4E (0.47) PDE5AMEN1MAPTHTTKMT2A

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