SCHEMBL17338558

SCHEMBL17338558

CCOC(=O)c1c[nH]c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2c1=O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.75
GABRB2 P47870 5/20 0.75
GABRB1 P18505 3/20 0.75
GABRA3 P34903 3/20 0.75
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL18589529 0.89 GABRA1 (0.68) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL1021821 0.88 GABRA1 (0.80) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4650158 0.87 GABRA1 (0.58) GABRA1GABRB2GABRB1GABRA3ALDH1A1
SCHEMBL7728970 0.86 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3
SCHEMBL25195018 0.85 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL17338645 0.84 GABRA1 (0.79) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL7291769 0.83 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL17338592 0.82 KDM4E (0.52) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL17338623 0.81 GABRA1 (0.52) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL29223625 0.80 GABRA1 (0.70) GABRA1GABRB2GABRB1GABRA3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145914-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL Business PLC (GB) 2017-03-29 EP disclosed
WO-2015189560-A1 AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE UCL BUSINESS PLC (GB) 2015-12-17 WO disclosed