SCHEMBL6161456

SCHEMBL6161456

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.38
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 0.37
ALOX5AP P20292 2/20 0.35
ALOX5 P09917 1/20 0.35
LTC4S Q16873 1/20 0.35
MAPT P10636 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
CASP6 P55212 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HTT P42858 1/20 0.32
P2RX3 P56373 1/20 0.32
FFAR1 O14842 1/20 0.32
EDNRB P24530 1/20 0.32
THRA P10827 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 0.88 EDNRA (0.46) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6161832 0.86 EDNRA (0.40) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL14097336 0.79 EDNRA (0.38) EDNRASMN1; SMN2SLC22A12ALOX5APALOX5
SCHEMBL7502687 0.78 EDNRA (0.42) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6579951 0.77 SMN1; SMN2 (0.41) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7503051 0.77 EDNRA (0.45) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8415160 0.76 EDNRA (0.46) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6159408 0.76 EDNRA (0.52) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8434773 0.76 EDNRA (0.47) EDNRAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8435187 0.76 EDNRA (0.44) 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 1 patent. 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 claimed