SCHEMBL9503714

SCHEMBL9503714

CC(=O)N1CCN(c2cc3c(c(NCc4ccccc4)c2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GSK3B P49841 7/20 0.44
HPGD P15428 3/20 0.43
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9502093 0.86 KCNH2 (0.70) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9504545 0.84 KCNH2 (0.63) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9501954 0.82 KCNH2 (0.58) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9501093 0.80 GSK3B (0.54) KCNH2HRH3KDM4EGSK3B
SCHEMBL10813681 0.76 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL10546585 0.73 GSK3B (0.55) KCNH2KDM4EALDH1A1LMNAPOLB
SCHEMBL10550876 0.73 GSK3B (0.63) GSK3B
SCHEMBL10769737 0.73 KCNH2 (0.45) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL8199125 0.73 KCNH2 (0.74) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9502058 0.72 ADRB2 (0.48) KDM4EALDH1A1LMNANPSR1TDP1

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