SCHEMBL9416431

SCHEMBL9416431

CNC1C=CCC2CN(c3cc(N)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.36
▸ POLB P06746 2/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ GSK3B P49841 7/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TOP2A P11388 2/20 0.34
▸ TOP2B Q02880 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30

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
SCHEMBL9416448 0.92 MEN1 (0.35) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9146734 0.89 KCNH2 (0.47) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9694860 0.86 MEN1 (0.48) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9694375 0.84 MEN1 (0.40) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9234517 0.82 MEN1 (0.39) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9694117 0.82 MEN1 (0.36) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9694116 0.82 KDM4E (0.43) KCNH2POLBMEN1KMT2ATOP2A
SCHEMBL9416442 0.82 POLB (0.34) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9145290 0.81 MEN1 (0.47) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL7848981 0.79 TOP2A (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 — — EP disclosed
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