SCHEMBL6207856

SCHEMBL6207856

CN1CCN(CCCNC(=O)Nc2nn(COCC[Si](C)(C)C)c3cc(Cl)c(-c4ccccc4)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 5/20 0.41
HTR1A P08908 3/20 0.41
ADRA2A P08913 3/20 0.41
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
HTR2A P28223 3/20 0.41
ADRA1A P35348 3/20 0.41
BCL2 P10415 1/20 0.40

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
SCHEMBL4488611 0.83 GSK3B (0.48) KDR
SCHEMBL1234014 0.80 GSK3B (0.52) KDM4E
SCHEMBL1461200 0.77 GSK3B (0.61) KDM4EHSD17B10KMT2APRKAB2PRKAG1
SCHEMBL4496683 0.77 ACP1 (0.35) KDM4E
SCHEMBL1461458 0.74 GSK3B (0.48) KDM4EHSD17B10
SCHEMBL1234876 0.74 SCN9A (0.36) KMT2APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6478455 0.73 GSK3B (0.53) KDM4EHSD17B10KMT2A
SCHEMBL27604149 0.73 KDM4E (0.32) KDM4EPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1462459 0.73 GSK3B (0.54) KDM4E
SCHEMBL1461283 0.73 GSK3B (0.54) KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537087-B1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2012-11-28 EP disclosed
EP-1537087-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2005-06-08 EP disclosed
WO-2004022544-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-03-18 WO disclosed