SCHEMBL7004467

SCHEMBL7004467

CCCC(NC(=O)Cc1nc(-c2ccccc2)oc1C)C(C)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PPARG P37231 12/20 0.44
PPARA Q07869 10/20 0.44
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4826826 0.82 KDM4E (0.55) KDM4EPPARGPPARAHPGDTP53
SCHEMBL4823431 0.81 KDM4E (0.54) KDM4EPPARGPPARAHPGDTP53
SCHEMBL10165837 0.74 KDM4E (0.74) KDM4EPPARGPPARAHPGDTP53
SCHEMBL14260722 0.74 KDM4E (0.74) KDM4EPPARGPPARAHPGDTP53
SCHEMBL13694666 0.73 KDM4E (0.61) KDM4EPPARGPPARAHPGDTP53
SCHEMBL2407014 0.73 HDAC1 (0.52) KDM4EPPARGPPARATP53POLB
SCHEMBL2406457 0.73 POLB (0.52) KDM4EPPARGPPARAHPGDTP53
SCHEMBL2930640 0.72 KDM4E (0.74) KDM4EPPARGPPARAHPGDTP53
SCHEMBL893027 0.71 KDM4E (1.00) KDM4EPPARGPPARAHPGDTP53
SCHEMBL6437060 0.71 KDM4E (0.72) KDM4EPPARGPPARAHPGDTP53

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-1343753-A2 ANTIMICROBIAL AGENTS De Novo Pharmaceuticals Ltd. (GB) 2003-09-17 EP disclosed
WO-2002050081-A2 ANTIMICROBIAL AGENTS DE NOVO PHARMACEUTICALS LTD (GB) 2002-06-27 WO disclosed