SCHEMBL8322415

SCHEMBL8322415

Nc1c(F)c(N2CC3C=CC=CC3(N)C2)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
CACNA1F O60840 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
GSK3B P49841 14/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37

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
SCHEMBL8323776 0.93 MEN1 (0.44) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8322083 0.91 MEN1 (0.37) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8322412 0.87 CACNA1F (0.62) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8324816 0.85 KCNH2 (0.42) KCNH2POLBMEN1KMT2ATOP2A
SCHEMBL8321401 0.84 GSK3B (0.38) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8323408 0.83 KDM4E (0.35) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8319677 0.83 KCNH2 (0.49) KCNH2POLBMEN1KMT2ATOP2A
SCHEMBL8319062 0.81 KCNH2 (0.51) KCNH2POLBGSK3BMEN1KMT2A
SCHEMBL8324778 0.81 ALDH1A1 (0.50) KCNH2POLBMEN1KMT2ATOP2A
SCHEMBL8317924 0.81 ALDH1A1 (0.50) KCNH2POLBMEN1KMT2ATOP2A

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