SCHEMBL9520213

SCHEMBL9520213

CO[C@@H]1CN(c2c(F)c(N)c3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)C[C@@H]1N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
CACNA1F O60840 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
CACNA1D Q01668 1/20 0.53
CACNA1S Q13698 1/20 0.53
CACNA1C Q13936 1/20 0.53
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 14/20 0.42
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40

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
SCHEMBL9520397 0.93 KCNH2 (0.46) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9521387 0.89 CACNA1F (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9520203 0.87 CACNA1F (0.70) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9520194 0.87 CACNA1F (0.70) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9520182 0.87 CACNA1F (0.70) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9520103 0.86 CACNA1F (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL10595818 0.86 CACNA1F (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9520121 0.86 CACNA1F (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL10596367 0.86 CACNA1F (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9520115 0.86 CACNA1F (0.69) KCNH2CACNA1FPOLBMAPK1CACNA1D

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-0347851-B1 Quinolonecarboxylic acids SHIONOGI & CO (JP) 1993-11-10 EP claimed