SCHEMBL6161832

SCHEMBL6161832

CC(C)c1nc(Sc2ccc(CCC(=O)O)cc2)c(C=O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALOX5AP P20292 2/20 0.36
ALOX5 P09917 1/20 0.36
LTC4S Q16873 1/20 0.36
MAPT P10636 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
CASP6 P55212 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
HTT P42858 1/20 0.32
FFAR1 O14842 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
EDNRB P24530 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL795038 0.89 EDNRA (0.46) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6161456 0.86 EDNRA (0.38) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL14097336 0.79 EDNRA (0.38) EDNRASMN1; SMN2SLC22A12ALOX5APALOX5
SCHEMBL7502687 0.79 EDNRA (0.42) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8415160 0.77 EDNRA (0.46) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8434773 0.77 EDNRA (0.47) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6577534 0.76 EDNRA (0.36) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8785538 0.76 SLC22A12 (0.45) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8435187 0.75 EDNRA (0.44) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8415300 0.75 MAPT (0.37) EDNRAALDH1A1KDM4EHPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863896-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
US-5986103-A IMIDAZOLE SUBSTITUTED BENZENE AND REDUCTION OF ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed
EP-0863896-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS HOECHST MARION ROUSSEL (FR) 1998-09-16 EP disclosed
WO-1997017340-A1 NOVEL IMIDAZOLE 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