SCHEMBL6577515

SCHEMBL6577515

O=Cc1c(Br)nc(Sc2ccccc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 8/20 0.36
EDNRA P25101 1/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
DRD3 P35462 2/20 0.36
OPRL1 P41146 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
HSP90AB1 P08238 2/20 0.35
HSP90B1 P14625 3/20 0.35
TRAP1 Q12931 3/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6577451 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL6579996 0.82 HSP90AA1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL7499501 0.81 ALDH1A1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL7505827 0.79 HSP90AA1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL6580569 0.78 MEN1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL6580054 0.78 BRS3 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6588042 0.77 BRS3 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2EDNRA
SCHEMBL6160770 0.76 HSP90AA1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL27462058 0.75 TP53 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL3838481 0.75 HSP90AA1 (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HSP90AA1

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 6 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-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
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