SCHEMBL9504545

SCHEMBL9504545

CC(=O)N1CCN(c2cc3c(c(F)c2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.63
HRH3 Q9Y5N1 1/20 0.63
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.46
CACNA1F O60840 1/20 0.46
MAPK1 P28482 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
TOP2A P11388 2/20 0.46
TOP2B Q02880 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9501954 0.92 KCNH2 (0.58) KCNH2HRH3KDM4EALDH1A1MEN1
SCHEMBL10813681 0.85 KDM4E (0.74) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL9503714 0.84 KCNH2 (0.51) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL9501145 0.83 KCNH2 (0.87) KCNH2HRH3KDM4EALDH1A1MEN1
SCHEMBL9501344 0.83 KCNH2 (0.62) KCNH2HRH3KDM4EALDH1A1MEN1
SCHEMBL10683407 0.82 KCNH2 (0.64) KCNH2HRH3KDM4EALDH1A1MEN1
SCHEMBL9502038 0.82 KCNH2 (0.69) KCNH2HRH3KDM4EALDH1A1MEN1
SCHEMBL9502534 0.82 KCNH2 (0.69) KCNH2HRH3KDM4EALDH1A1MEN1
SCHEMBL10769737 0.81 KCNH2 (0.45) KCNH2HRH3KDM4EALDH1A1MEN1
SCHEMBL8199125 0.81 KCNH2 (0.74) KCNH2HRH3KDM4EALDH1A1MEN1

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 4 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