SCHEMBL9501339

SCHEMBL9501339

O=C(O)c1cn(C2CC2)c2cc(F)c(F)c(F)c2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.55
HRH3 Q9Y5N1 1/20 0.55
TOP2A P11388 7/20 0.53
TOP2B Q02880 7/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
GSK3B P49841 3/20 0.50
POLB P06746 2/20 0.48
CACNA1F O60840 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48

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
SCHEMBL1345230 0.91 KCNH2 (0.48) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL5508837 0.90 KCNH2 (0.64) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL30181127 0.90 KCNH2 (0.64) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL7495837 0.90 KCNH2 (0.51) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL1344812 0.88 GSK3B (0.60) KCNH2HRH3TOP2ATOP2BMEN1
Fluoride SCHEMBL5142968 0.87 KCNH2 (0.62) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL5142970 0.86 KCNH2 (0.61) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL9688280 0.85 KCNH2 (0.50) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL9088187 0.85 KDM4E (0.51) KCNH2HRH3TOP2ATOP2BMEN1
SCHEMBL9087413 0.85 GSK3B (0.50) KCNH2HRH3TOP2ATOP2BMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed