SCHEMBL10684653

SCHEMBL10684653

Nc1c(F)c(N2CCC(O)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.72
POLB P06746 2/20 0.72
CACNA1F O60840 1/20 0.72
MAPK1 P28482 1/20 0.72
CACNA1D Q01668 1/20 0.72
CACNA1S Q13698 1/20 0.72
CACNA1C Q13936 1/20 0.72
GSK3B P49841 12/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TOP2A P11388 1/20 0.57
TOP2B Q02880 1/20 0.57
ALDH1A1 P00352 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49

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
SCHEMBL9147650 0.93 CACNA1F (0.79) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10686009 0.91 MEN1 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8922019 0.90 POLB (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9368352 0.88 POLB (0.69) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL5868656 0.88 POLB (0.71) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10686828 0.87 CACNA1F (0.74) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8566535 0.87 POLB (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8566530 0.87 POLB (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8918812 0.87 KCNH2 (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL8567010 0.87 POLB (0.68) KCNH2POLBCACNA1FMAPK1CACNA1D

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