SCHEMBL5037413

SCHEMBL5037413

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.62
▸ BCHE P06276 5/20 0.61
▸ TSHR P16473 1/20 0.61
▸ TP53 P04637 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ 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
SCHEMBL1385523 0.93 KDM4E (0.71) KDM4EBCHETSHRTP53MAPT
SCHEMBL5037311 0.92 KDM4E (0.70) KDM4EBCHETSHRMAPT
SCHEMBL5037898 0.91 KDM4E (0.62) KDM4EBCHETP53SMN1; SMN2
SCHEMBL5041207 0.91 KDM4E (0.65) KDM4ETSHRTP53MAPTMEN1
SCHEMBL11890502 0.85 KDM4E (0.73) KDM4EBCHETSHRTP53MAPT
SCHEMBL1387066 0.85 KDM4E (0.80) KDM4ETSHRMAPTALDH1A1HTT
SCHEMBL1386481 0.83 KDM4E (0.71) KDM4EBCHETSHRTP53SMN1; SMN2
SCHEMBL1387031 0.83 KDM4E (0.74) KDM4ETSHRTP53MAPTALDH1A1
SCHEMBL5040662 0.83 BCHE (0.63) KDM4EBCHETSHRTP53MAPT
SCHEMBL2579670 0.82 KDM4E (0.66) KDM4EBCHETSHRTP53MAPT

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
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