SCHEMBL9837385

SCHEMBL9837385

CN1CCN(c2c(F)c(N)c3c(=O)c(OC(=O)O)cn(C4CC4)c3c2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
GSK3B P49841 10/20 0.40
ALDH1A1 P00352 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL9211507 0.86 KCNH2 (0.43) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL9837378 0.86 POLB (0.61) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL9839484 0.85 KCNH2 (0.52) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL10686830 0.84 CACNA1F (0.54) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL9382793 0.84 POLB (0.44) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL10680107 0.83 MEN1 (0.51) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL9520397 0.83 KCNH2 (0.46) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL10680080 0.82 CACNA1F (0.50) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL10679828 0.82 KCNH2 (0.50) POLBMAPK1CACNA1FCACNA1DKCNH2
SCHEMBL10680718 0.82 POLB (0.54) POLBMAPK1CACNA1FCACNA1DKCNH2

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-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP claimed