SCHEMBL17338581

SCHEMBL17338581

COC(=O)CNC(=O)c1c[nH]c2ccc(Cc3ccccc3F)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.51
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SNCA P37840 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL17338638 0.89 POLB (0.50) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338542 0.87 GABRA1 (0.64) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338616 0.82 GABRA1 (0.63) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338611 0.82 GABRA1 (0.52) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338557 0.82 LMNA (0.61) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338552 0.82 GABRA1 (0.52) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338553 0.81 KDM4E (0.59) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338592 0.81 KDM4E (0.52) POLBGABRA1GABRB2GABRB1GABRA3
SCHEMBL17338522 0.80 GABRA1 (0.75) GABRA1GABRB2GABRB1GABRA3L3MBTL1
SCHEMBL17338633 0.78 GABRA1 (0.60) POLBGABRA1GABRB2GABRB1GABRA3

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