SCHEMBL3841830

SCHEMBL3841830

O=CCc1cc2c(F)cc(F)cc2[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DAO P14920 4/20 0.33
DDO Q99489 2/20 0.33
CNR1 P21554 1/20 0.33
PARP1 P09874 1/20 0.33
CDC25A P30304 1/20 0.31
CDC25C P30307 1/20 0.31
GPR17 Q13304 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30

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
SCHEMBL3843000 0.81 GRIN1 (0.39) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL3846952 0.81 TAAR1 (0.36) KDM4E
SCHEMBL3839869 0.80 DAO (0.56) KDM4EDAODDOPARP1
SCHEMBL3843996 0.75 DAO (0.55) KDM4EDAODDOPARP1
SCHEMBL4425807 0.75 GPR17 (0.52) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8873562 0.70 DAO (0.51) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL5047640 0.70 MPO (0.36) KDM4ECNR1PARP1
SCHEMBL4279370 0.69 CYP2A6 (0.40) KDM4ECNR1
SCHEMBL4430524 0.69 LMNA (0.43) KDM4EGPR17
SCHEMBL8873411 0.68 KDM4E (0.46) KDM4EDAODDOPARP1CDC25A

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