SCHEMBL6159408

SCHEMBL6159408

CCCc1nc(Sc2ccc(C(=O)O)cc2)c(OC(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.52
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AGTR1 P30556 4/20 0.37
AGTR2 P50052 4/20 0.37
PPARG P37231 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6162886 0.89 EDNRA (0.49) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6159406 0.88 EDNRA (0.63) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7507367 0.88 EDNRA (0.48) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7506638 0.86 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7503953 0.81 EDNRA (0.53) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8434286 0.80 EDNRA (0.64) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6579951 0.79 SMN1; SMN2 (0.41) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3834407 0.79 EDNRA (0.64) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7506376 0.79 EDNRA (0.51) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6160979 0.79 EDNRA (0.63) 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 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