SCHEMBL3843563

SCHEMBL3843563

CC(C)(C)OC(=O)NCC1CN(CCc2nc3ccc(F)cc3[nH]c2=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.39
CDK9 P50750 2/20 0.39
BACE1 P56817 5/20 0.39
BACE2 Q9Y5Z0 3/20 0.39
PARP1 P09874 4/20 0.37
PARP2 Q9UGN5 4/20 0.37
KCNH2 Q12809 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
EGFR P00533 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TNKS O95271 1/20 0.35
PARP6 Q2NL67 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3847577 0.88 SLC40A1 (0.39) PARP1PARP2KCNH2SLC40A1EGFR
SCHEMBL3957511 0.76 BACE1 (0.34) CCNT1CDK9BACE1BACE2PARP1
SCHEMBL3838947 0.72 MPO (0.40) PARP1PARP2KCNH2SLC40A1EGFR
SCHEMBL3847249 0.69 HRH4 (0.42) PARP1PARP2KCNH2EGFRHRH4
SCHEMBL19494664 0.68 CACNA1H (0.55) SLC40A1KDM4EALDH1A1SMN1; SMN2BCHE
SCHEMBL22481384 0.63 LMNA (0.45) BACE1BACE2PARP1HRH4HRH3
SCHEMBL29668194 0.63 LMNA (0.45) BACE1BACE2PARP1HRH4HRH3
SCHEMBL22481483 0.63 LMNA (0.45) BACE1BACE2PARP1HRH4HRH3
SCHEMBL22481386 0.63 LMNA (0.45) BACE1BACE2PARP1HRH4HRH3
SCHEMBL27805787 0.62 EGFR (0.46) EGFRKDM4EALDH1A1HPGDSMN1; 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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed