SCHEMBL7548343

SCHEMBL7548343

CCCSc1nc(Sc2ccccc2OC)c(C(=O)O)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APLNR P35414 1/20 0.38
EDNRB P24530 4/20 0.37

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 0.92 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7494883 0.85 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8785947 0.79 P2RX7 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2APLNR
SCHEMBL8431636 0.78 ALDH1A1 (0.40) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580198 0.78 EDNRA (0.44) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580025 0.77 KDM4E (0.36) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6579920 0.76 EDNRA (0.46) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7501396 0.76 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6580278 0.75 EDNRA (0.45) EDNRAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7498870 0.74 EDNRA (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776325-B1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-11-20 EP claimed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed