SCHEMBL6582630

SCHEMBL6582630

Clc1cc2c(cc1Cn1c(-c3ccccc3)nc(Br)c1Br)OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC22A12 Q96S37 1/20 0.39
TSHR P16473 1/20 0.39
CACNA1F O60840 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6579996 0.87 HSP90AA1 (0.38) MEN1KMT2ASLC22A12CACNA1FOPRM1
SCHEMBL6582668 0.87 EDNRA (0.43) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6577282 0.84 KDM4E (0.39) MEN1KMT2ASLC22A12SMN1; SMN2KDM4E
SCHEMBL7503934 0.81 HSP90AA1 (0.41) MEN1KMT2ASLC22A12TSHRCACNA1F
SCHEMBL3834423 0.80 HSP90AA1 (0.43) MEN1KMT2ASLC22A12OPRM1DRD3
SCHEMBL6577451 0.80 KDM4E (0.40) MEN1KMT2ATSHRCACNA1FOPRM1
SCHEMBL6577691 0.78 MEN1 (0.43) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3834411 0.76 HSP90AA1 (0.42) MEN1KMT2ASLC22A12CACNA1FOPRM1
SCHEMBL6159828 0.75 HSP90AA1 (0.39) MEN1KMT2ASLC22A12SMN1; SMN2HSP90AA1
SCHEMBL6582037 0.74 BRD4 (0.45) MEN1KMT2ASLC22A12CACNA1FOPRM1

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 4 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
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