SCHEMBL10679362

SCHEMBL10679362

CCNCC1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(CCF)c3c2F)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 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
KDM4E B2RXH2 3/20 0.45
FOXO1 Q12778 1/20 0.42
SLC2A1 P11166 1/20 0.42
TOP1 P11387 5/20 0.42
GSK3B P49841 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PMP22 Q01453 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10510270 0.93 KDM4E (0.48) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10369147 0.92 KCNH2 (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10684793 0.90 KCNH2 (0.51) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10679368 0.87 KCNH2 (0.37) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL8385037 0.86 KCNH2 (0.64) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL10509748 0.86 KDM4E (0.49) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688244 0.85 KCNH2 (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D
Hydrochloric Acid SCHEMBL10368756 0.85 KCNH2 (0.63) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689834 0.84 KCNH2 (0.47) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL9687744 0.84 KCNH2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 EP claimed
EP-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 EP disclosed