SCHEMBL17338609

SCHEMBL17338609

CCOC(=O)c1c[nH]c2cc(Cc3ccccc3)c(Br)cc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.70
GABRB2 P47870 5/20 0.70
GABRB1 P18505 2/20 0.70
GABRA3 P34903 2/20 0.70
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
CLEC4M Q9H2X3 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL17338533 0.85 ALDH1A1 (0.54) GABRA1GABRB2GABRB1GABRA3SMN1; SMN2
SCHEMBL3720055 0.84 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL7728970 0.82 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3
SCHEMBL17338555 0.80 POLB (0.49) GABRA1GABRB2GABRB1GABRA3SMN1; SMN2
SCHEMBL5159020 0.80 GABRA1 (0.62) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL17338570 0.80 POLB (0.56) GABRA1GABRB2GABRB1GABRA3SMN1; SMN2
SCHEMBL13930267 0.79 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL17338614 0.79 POLB (0.46) GABRA1GABRB2GABRB1GABRA3SMN1; SMN2
SCHEMBL17338635 0.79 POLB (0.46) GABRA1GABRB2GABRB1GABRA3SMN1; SMN2
SCHEMBL17338532 0.79 POLB (0.52) GABRA1GABRB2GABRB1GABRA3SMN1; SMN2

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