SCHEMBL6580569

SCHEMBL6580569

O=Cc1c(Br)nc(C(O)c2ccccc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.38
ALPG P10696 1/20 0.38
EDNRA P25101 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1F O60840 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 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
SCHEMBL6577691 0.88 MEN1 (0.43) MEN1KMT2AHPGDHTTUSP2
SCHEMBL6160770 0.83 HSP90AA1 (0.38) MEN1KMT2AHPGDEDNRASMN1; SMN2
SCHEMBL6579996 0.81 HSP90AA1 (0.38) MEN1KMT2AHPGDEDNRASMN1; SMN2
SCHEMBL6577534 0.80 EDNRA (0.36) MEN1KMT2AHPGDHTTUSP2
SCHEMBL6577515 0.78 KDM4E (0.39) MEN1KMT2AHPGDEDNRASMN1; SMN2
SCHEMBL7505827 0.77 HSP90AA1 (0.39) MEN1KMT2AHPGDHTTEDNRA
SCHEMBL3838481 0.76 HSP90AA1 (0.37) MEN1KMT2AHPGDEDNRASMN1; SMN2
SCHEMBL27462058 0.74 TP53 (0.43) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL6164112 0.74 EDNRA (0.49) MEN1KMT2AHPGDEDNRASMN1; SMN2
SCHEMBL27462057 0.73 HSP90AA1 (0.39) HPGDEDNRASMN1; SMN2KDM4EALDH1A1

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-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