SCHEMBL6580607

SCHEMBL6580607

COc1ccc(Sc2nc(C3OCCO3)n(Cc3cc4c(cc3Cl)OCO4)c2OC(=O)O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.42
EDNRB P24530 10/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.33
BRS3 P32247 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL6580603 0.89 EDNRA (0.47) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL8329451 0.87 EDNRA (0.42) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7507367 0.85 EDNRA (0.48) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL8326733 0.85 EDNRA (0.38) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6579951 0.79 SMN1; SMN2 (0.41) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3839923 0.77 KDM4E (0.39) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6582681 0.77 KDM4E (0.40) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL3835789 0.76 EDNRA (0.58) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8435290 0.76 EDNRA (0.47) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7498870 0.75 EDNRA (0.59) EDNRAEDNRBKDM4EALDH1A1HPGD

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-0804435-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-03-10 EP claimed