SCHEMBL3834963

SCHEMBL3834963

O=C(O)c1c(S)nc(C2OCCO2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.47
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL8035024 0.86 EDNRA (0.41) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3835067 0.80 EDNRA (0.72) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3835069 0.80 EDNRA (0.72) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3839122 0.79 EDNRA (0.65) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3838925 0.79 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501847 0.77 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3836955 0.76 HSP90AA1 (0.38) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580603 0.76 EDNRA (0.47) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3838481 0.73 HSP90AA1 (0.37) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3856293 0.73 EDNRA (0.43) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2

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-0861247-B1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2009-10-07 EP disclosed
EP-0861247-A1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS HOECHST MARION ROUSSEL (FR) 1998-09-02 EP disclosed
WO-1997017339-A1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS HOECHST MARION ROUSSEL (FR) 1997-05-15 WO disclosed