SCHEMBL5040634

SCHEMBL5040634

Nc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(Cl)nc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.66
▸ BCHE P06276 3/20 0.59
▸ TSHR P16473 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 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
SCHEMBL2581813 0.90 KDM4E (0.68) KDM4EBCHETSHRTP53MAPT
SCHEMBL1385523 0.88 KDM4E (0.71) KDM4EBCHETSHRTP53MAPT
SCHEMBL11890502 0.86 KDM4E (0.73) KDM4EBCHETSHRTP53MAPT
SCHEMBL1387066 0.85 KDM4E (0.80) KDM4ETSHRMAPTALDH1A1LMNA
SCHEMBL2579670 0.84 KDM4E (0.66) KDM4EBCHETSHRTP53MAPT
SCHEMBL1386481 0.84 KDM4E (0.71) KDM4EBCHETSHRTP53SMN1; SMN2
SCHEMBL1387031 0.84 KDM4E (0.74) KDM4ETSHRTP53MAPTSMN1; SMN2
SCHEMBL5037413 0.82 KDM4E (0.62) KDM4EBCHETSHRTP53MAPT
SCHEMBL1386316 0.81 BCHE (0.68) KDM4EBCHETSHRTP53MAPT
SCHEMBL2576156 0.80 BCHE (0.67) KDM4EBCHETP53MAPT

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

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