SCHEMBL8323408

SCHEMBL8323408

CN1COc2c(N3CC4C=CC=CC4(N)C3)c(F)c(N)c3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
CACNA1F O60840 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CACNA1D Q01668 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL8321401 0.86 GSK3B (0.38) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8323919 0.85 KDM4E (0.50) KDM4EPOLBKCNH2
SCHEMBL8322415 0.83 KCNH2 (0.47) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9235745 0.82 KDM4E (0.46) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL9232358 0.81 KDM4E (0.40) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL9234627 0.81 CACNA1F (0.51) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL9233837 0.80 KDM4E (0.54) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL9228918 0.80 KDM4E (0.40) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL9232505 0.80 KDM4E (0.44) KDM4ECACNA1FPOLBMAPK1CACNA1D
SCHEMBL8131419 0.79 CACNA1F (0.34) KDM4ECACNA1FPOLBMAPK1CACNA1D

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-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed