SCHEMBL6580025

SCHEMBL6580025

COc1ccccc1Sc1nc(Sc2ccccc2)n(Cc2cc3c(cc2Cl)OCO3)c1CO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EDNRA P25101 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.34
P2RX7 Q99572 2/20 0.34
EDNRB P24530 4/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRS3 P32247 1/20 0.33
POLB P06746 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
SCHEMBL8329175 0.83 EDNRA (0.44) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL7548343 0.77 EDNRA (0.45) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6580198 0.75 EDNRA (0.44) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6582681 0.75 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6580278 0.73 EDNRA (0.45) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6577451 0.73 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6579920 0.72 EDNRA (0.46) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6580281 0.72 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6579951 0.71 SMN1; SMN2 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL8323946 0.71 EDNRB (0.40) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA

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 2 patents. 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 disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed