SCHEMBL7020439

SCHEMBL7020439

O=C(O)OC1CCN(c2nc(NCCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ALDH1A1 P00352 5/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PDE2A O00408 1/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 3/20 0.41
USP2 O75604 2/20 0.41
HSD17B10 Q99714 4/20 0.40
MAPT P10636 5/20 0.40

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
SCHEMBL7015052 0.93 PDE4A (0.50) PTPN12PTPN22ALDH1A1PDE4APDE4B
SCHEMBL7013985 0.91 PTPN12 (0.43) PTPN12PTPN22ALDH1A1PDE4APDE4B
SCHEMBL8177876 0.90 PDE4A (0.53) PTPN12PTPN22ALDH1A1PDE4APDE4B
SCHEMBL7015240 0.88 PDE4A (0.45) PTPN12PTPN22ALDH1A1PDE4APDE4B
SCHEMBL7018515 0.87 PDE4A (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8183600 0.86 PSMD14 (0.47) PTPN12PTPN22ALDH1A1PDE4APDE4B
SCHEMBL7021851 0.86 PDE4A (0.46) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7016846 0.85 PDE4A (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7016674 0.83 PTPN12 (0.47) PTPN12PTPN22ALDH1A1PDE4APDE4B
SCHEMBL7022657 0.83 PDE4A (0.47) ALDH1A1PDE4APDE4BPDE4CPDE4D

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