SCHEMBL9501162

SCHEMBL9501162

CCOC(=O)c1cn(C2CC2)c2cc(F)c(F)c(NCc3ccccc3C(C)=O)c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
GSK3B P49841 9/20 0.42
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.37
STAT3 P40763 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9502058 0.88 ADRB2 (0.48) ADRB2GSK3BHTTALDH1A1LMNA
SCHEMBL1345409 0.83 ADRB2 (0.43) ADRB2GSK3BHTTALDH1A1LMNA
SCHEMBL9501129 0.81 ADRB2 (0.51) ADRB2GSK3BHTTKMT2ASTAT3
SCHEMBL5507636 0.80 ADRB2 (0.50) ADRB2GSK3BHTTKMT2ASTAT3
SCHEMBL30181222 0.80 ADRB2 (0.50) ADRB2GSK3BHTTKMT2ASTAT3
SCHEMBL9501167 0.77 ADRB2 (0.43) ADRB2GSK3BHTTALDH1A1LMNA
SCHEMBL9501304 0.77 GSK3B (0.49) ADRB2GSK3BHTTKMT2ASTAT3
SCHEMBL263981 0.77 STAT3 (0.48) ADRB2GSK3BHTTKMT2ASTAT3
SCHEMBL9501093 0.77 GSK3B (0.54) GSK3BKCNH2HRH3
SCHEMBL1345135 0.75 GSK3B (0.50) ADRB2GSK3BHTTSTAT3ALDH1A1

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