SCHEMBL7013985

SCHEMBL7013985

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 3/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 5/20 0.40
HSD17B10 Q99714 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ATM Q13315 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL7016674 0.93 PTPN12 (0.47) PTPN12PTPN22HTTSMN1; SMN2ALDH1A1
SCHEMBL7020439 0.91 PTPN12 (0.45) PTPN12PTPN22HTTSMN1; SMN2ALDH1A1
SCHEMBL8183600 0.90 PSMD14 (0.47) PTPN12PTPN22HTTSMN1; SMN2ALDH1A1
SCHEMBL7016750 0.89 CNR1 (0.46) PTPN12PTPN22HTTSMN1; SMN2ALDH1A1
SCHEMBL7019806 0.89 PDE4A (0.40) HTTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL7017023 0.88 PDE4A (0.42) SMN1; SMN2ALDH1A1KDM4ELMNAALOX15
SCHEMBL7020085 0.87 PDE4A (0.40) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL8177876 0.86 PDE4A (0.53) PTPN12PTPN22HTTSMN1; SMN2ALDH1A1
SCHEMBL7009748 0.85 PDE4A (0.44) ALDH1A1KDM4ELMNAALOX15USP2
SCHEMBL7018279 0.84 PDE4A (0.43) ALDH1A1KDM4ELMNAALOX15USP2

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