SCHEMBL3847577

SCHEMBL3847577

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PARP1 P09874 7/20 0.37
PARP2 Q9UGN5 6/20 0.37
KCNH2 Q12809 4/20 0.37
MPO P05164 1/20 0.36
EGFR P00533 2/20 0.36
PARP3 Q9Y6F1 2/20 0.35
TNKS O95271 2/20 0.34
PARP6 Q2NL67 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL3843563 0.88 CCNT1 (0.39) SLC40A1PRMT5WDR77HRH4HRH3
SCHEMBL3838947 0.83 MPO (0.40) SLC40A1PRMT5WDR77HRH4HRH3
SCHEMBL3847249 0.74 HRH4 (0.42) HRH4HRH3PARP1PARP2KCNH2
SCHEMBL4306112 0.73 KCNH2 (0.39) KCNH2
SCHEMBL5047682 0.70 CCR3 (0.41) LMNA
SCHEMBL4758202 0.68 POLB (0.43) KCNH2EGFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL5047886 0.66 SIGMAR1 (0.38) HRH4HRH3PARP1PARP2KCNH2
SCHEMBL4439862 0.66 POLB (0.43) KCNH2EGFRKDM4EALDH1A1HPGD
SCHEMBL5048771 0.65 KCNH2 (0.46) PARP1PARP2KCNH2EGFRTNKS
SCHEMBL27805787 0.64 EGFR (0.46) MPOEGFRKDM4EALDH1A1HPGD

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