SCHEMBL5037898

SCHEMBL5037898

Nc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(Br)cc1.O=CNO

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
BCHE P06276 7/20 0.61
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL1386481 0.93 KDM4E (0.71) KDM4EBCHETP53SMN1; SMN2
SCHEMBL5037311 0.92 KDM4E (0.70) KDM4EBCHE
SCHEMBL5037413 0.91 KDM4E (0.62) KDM4EBCHETP53SMN1; SMN2
SCHEMBL5041207 0.91 KDM4E (0.65) KDM4ETP53SMN1; SMN2
SCHEMBL11890502 0.85 KDM4E (0.73) KDM4EBCHETP53SMN1; SMN2
SCHEMBL1387066 0.85 KDM4E (0.80) KDM4E
SCHEMBL1385523 0.83 KDM4E (0.71) KDM4EBCHETP53SMN1; SMN2
SCHEMBL1387031 0.83 KDM4E (0.74) KDM4ETP53SMN1; SMN2
SCHEMBL5040662 0.83 BCHE (0.63) KDM4EBCHETP53SMN1; SMN2
SCHEMBL28787615 0.81 BCHE (0.84) BCHETP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636215-B1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2008-01-23 EP claimed