SCHEMBL17338552

SCHEMBL17338552

COC(=O)CNC(=O)c1c[nH]c2ccc(Cc3cccc(Cl)c3)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRB2 P47870 3/20 0.52
GABRB1 P18505 1/20 0.52
GABRA3 P34903 1/20 0.52
SNCA P37840 3/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PYGL P06737 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL17338542 0.90 GABRA1 (0.64) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL1019952 0.89 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3SNCA
SCHEMBL17338628 0.89 GABRA1 (0.53) GABRA1GABRB2GABRB1GABRA3SNCA
SCHEMBL17338611 0.85 GABRA1 (0.52) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL17338557 0.85 LMNA (0.61) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL17338616 0.83 GABRA1 (0.63) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL17338592 0.82 KDM4E (0.52) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL17338581 0.82 POLB (0.51) GABRA1GABRB2GABRB1GABRA3SNCA
SCHEMBL17338633 0.81 GABRA1 (0.60) GABRA1GABRB2GABRB1GABRA3POLB
SCHEMBL1024113 0.81 GABRA1 (0.61) GABRA1GABRB2GABRB1GABRA3SNCA

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