SCHEMBL6577451

SCHEMBL6577451

Clc1cc2c(cc1Cn1c(Sc3ccccc3)nc(Br)c1Br)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 7/20 0.38
HSP90AB1 P08238 2/20 0.38
OPRM1 P35372 2/20 0.37
DRD3 P35462 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HSP90B1 P14625 3/20 0.36
TRAP1 Q12931 3/20 0.36

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
SCHEMBL6577515 0.87 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6582630 0.80 MEN1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL7501751 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3834423 0.78 HSP90AA1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6577691 0.76 MEN1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL7503934 0.75 HSP90AA1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3834411 0.73 HSP90AA1 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6580198 0.73 EDNRA (0.44) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6580025 0.73 KDM4E (0.36) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6582681 0.73 KDM4E (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 9 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
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 disclosed
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
EP-0804435-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-11-05 EP disclosed
EP-0776325-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-06-04 EP disclosed
WO-1996004276-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-02-15 WO disclosed
WO-1996004275-A1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-02-15 WO disclosed