SCHEMBL9688765

SCHEMBL9688765

O=C(O)Oc1cc2ccccc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.54
DDO Q99489 1/20 0.54
KDM4E B2RXH2 5/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
SRD5A2 P31213 1/20 0.50
BRD4 O60885 1/20 0.50
CHEK1 O14757 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 2/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL10969376 0.80 DAO (0.58) DAOKDM4EMAPTFLT3GRIN2D
SCHEMBL10969990 0.80 DAO (0.58) DAOKDM4EHSD17B10NPSR1HPGD
SCHEMBL31398830 0.77 BRD4 (0.59) DAODDOKDM4EHSD17B10NPSR1
SCHEMBL1833251 0.77 KDM4E (0.55) DAODDOKDM4EMAPK1HSD17B10
SCHEMBL250338 0.77 BRD4 (0.59) DAODDOKDM4EHSD17B10NPSR1
SCHEMBL17942036 0.77 DAO (0.55) DAODDOKDM4EMAPK1HSD17B10
SCHEMBL7058048 0.76 KDM4E (0.52) KDM4EHSD17B10NPSR1HPGDMAPT
SCHEMBL7809716 0.75 DAO (0.53) DAODDOKDM4EMAPK1HSD17B10
SCHEMBL27457766 0.75 DAO (0.51) DAODDOKDM4EMAPK1HSD17B10
SCHEMBL9284380 0.74 PDGFRB (0.51) DAODDOKDM4EMAPK1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP claimed