SCHEMBL4068256

SCHEMBL4068256

COc1cccc2c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c(Cl)cnc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4066049 0.86 KCNH2 (0.43) KCNH2
SCHEMBL4065674 0.85 KCNH2 (0.41) KCNH2
SCHEMBL4068253 0.84 KCNH2 (0.48) KCNH2LMNANPSR1
SCHEMBL4075361 0.83 KCNH2 (0.43) KCNH2
SCHEMBL2954817 0.76 KCNH2 (0.49) KCNH2
SCHEMBL2946555 0.76 KCNH2 (0.48) KCNH2
SCHEMBL4069052 0.74 KCNH2 (0.44) KCNH2
SCHEMBL4066322 0.74 SLC2A1 (0.44) KCNH2KDM4ELMNAGLAMAPT
SCHEMBL4063525 0.74 KCNH2 (0.44) KCNH2
SCHEMBL4069048 0.74 KCNH2 (0.42) KCNH2

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-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP claimed