SCHEMBL9569142

SCHEMBL9569142

O=C(O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OC=C2C1CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.39
TOP2A P11388 14/20 0.34
TOP2B Q02880 11/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL9569139 0.87 TOP1 (0.51) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9569165 0.86 STAT3 (0.38) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9513057 0.82 TOP1 (0.41) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9560484 0.81 TOP1 (0.41) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9560449 0.80 TOP1 (0.39) TOP1TOP2AKDM4EALDH1A1POLB
SCHEMBL9560421 0.79 TOP1 (0.40) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9569195 0.78 TOP1 (0.40) TOP1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL9569173 0.76 STAT3 (0.39) TOP1TOP2ATOP2B
SCHEMBL9569164 0.74 STAT3 (0.41) TOP1TOP2ATOP2B
SCHEMBL9513068 0.74 KDM4E (0.48) TOP1TOP2ATOP2BKDM4EALDH1A1

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-0563734-A1 9-fluoro-7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazine carboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP disclosed