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SCHEMBL5041207

SCHEMBL5041207

Nc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(-c2ccccc2)cc1.O=CNO

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.65
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ TSHR P16473 2/20 0.55

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
SCHEMBL5037311 0.94 KDM4E (0.70) KDM4EMAPTTSHR
SCHEMBL1387031 0.93 KDM4E (0.74) KDM4ETP53SMN1; SMN2MAPTALDH1A1
SCHEMBL5037898 0.91 KDM4E (0.62) KDM4ETP53SMN1; SMN2
SCHEMBL5037413 0.91 KDM4E (0.62) KDM4ETP53SMN1; SMN2MAPTMEN1
SCHEMBL1387066 0.87 KDM4E (0.80) KDM4EMAPTALDH1A1TSHR
SCHEMBL11890502 0.85 KDM4E (0.73) KDM4ETP53SMN1; SMN2MAPTTSHR
SCHEMBL1386481 0.83 KDM4E (0.71) KDM4ETP53SMN1; SMN2TSHR
SCHEMBL1385523 0.83 KDM4E (0.71) KDM4ETP53SMN1; SMN2MAPTALDH1A1
SCHEMBL5040662 0.83 BCHE (0.63) KDM4ETP53SMN1; SMN2MAPTMEN1
SCHEMBL1386316 0.81 BCHE (0.68) KDM4ETP53SMN1; SMN2MAPTMEN1

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