SCHEMBL4633218

SCHEMBL4633218

[2H]C([2H])N(c1c(C)cccc1C)c1cc(C(=O)N(C)C)cc2c1nc(C)n2C([2H])([2H])[2H]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PABPC1 P11940 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 1/20 0.31

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
SCHEMBL4632998 0.95 KDM4E (0.35) KDM4EALDH1A1GAAPABPC1HPGD
SCHEMBL4634183 0.88 KDM4E (0.35) KDM4EALDH1A1GAAPABPC1HPGD
SCHEMBL4634190 0.84 SLC22A12 (0.34) ALDH1A1GAAHPGDHSD17B10
SCHEMBL4632933 0.80 SMN1; SMN2 (0.37) KDM4EALDH1A1GAAPABPC1HPGD
SCHEMBL4633318 0.75 MAP4K1 (0.34) ALDH1A1
SCHEMBL4633215 0.75 CYP3A4 (0.41) KDM4EALDH1A1GAAPABPC1HPGD
SCHEMBL5901177 0.73 KDM4E (0.30) KDM4EALDH1A1GAAPABPC1HPGD
SCHEMBL4632904 0.71 LMNA (0.40) ALDH1A1HPGDHTT
SCHEMBL4592754 0.67 CYP3A4 (0.61) KDM4EALDH1A1GAAPABPC1HPGD
SCHEMBL5901876 0.67 CYP3A4 (0.39) KDM4EALDH1A1GAAPABPC1HPGD

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-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP claimed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO claimed
EP-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP disclosed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO disclosed