SCHEMBL9502038

SCHEMBL9502038

CC1CN(c2cc3c(c(F)c2F)c(=O)c(C(=O)O)cn3C2CC2)CC(C)N1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.69
HRH3 Q9Y5N1 1/20 0.69
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
POLB P06746 3/20 0.63
CACNA1F O60840 1/20 0.63
MAPK1 P28482 1/20 0.63
CACNA1D Q01668 1/20 0.63
CACNA1S Q13698 1/20 0.63
CACNA1C Q13936 1/20 0.63
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TOP2A P11388 3/20 0.50
TOP2B Q02880 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 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
SCHEMBL9502534 1.00 KCNH2 (0.69) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9500959 0.93 KCNH2 (0.71) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL10586588 0.93 KCNH2 (0.81) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9501991 0.93 KCNH2 (0.71) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL10586593 0.93 KCNH2 (0.81) KCNH2HRH3MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9504778 0.92 KCNH2 (0.69) KCNH2HRH3MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9504788 0.92 KCNH2 (0.69) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL5279361 0.90 KCNH2 (0.63) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9501145 0.89 KCNH2 (0.87) KCNH2HRH3MEN1KMT2APOLB
SCHEMBL9502044 0.85 KCNH2 (0.52) KCNH2HRH3MEN1KMT2APOLB

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 7 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 claimed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US claimed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP claimed
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