SCHEMBL9560601

SCHEMBL9560601

CC1=C(C)n2cc(OC(=O)O)c(=O)c3cc(F)c(F)c(c32)O1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.45
STAT3 P40763 2/20 0.36
TOP2A P11388 9/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
TOP2B Q02880 6/20 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
SCHEMBL9560614 0.87 STAT3 (0.42) TOP1STAT3KDM4EHPGDHSD17B10
SCHEMBL9513057 0.81 TOP1 (0.41) TOP1STAT3TOP2AKDM4EHPGD
SCHEMBL9509713 0.81 TOP1 (0.40) TOP1STAT3TOP2AKDM4EHPGD
SCHEMBL9560272 0.78 TOP1 (0.41) TOP1STAT3TOP2AKDM4EHPGD
SCHEMBL9560484 0.77 TOP1 (0.41) TOP1STAT3TOP2AKDM4EHPGD
SCHEMBL9560449 0.76 TOP1 (0.39) TOP1STAT3TOP2AKDM4EHPGD
SCHEMBL9560364 0.76 TOP1 (0.38) TOP1STAT3TOP2ATOP2BCNR1
SCHEMBL9569195 0.75 TOP1 (0.40) TOP1TOP2AKDM4EALDH1A1POLB
SCHEMBL9560421 0.73 TOP1 (0.40) TOP1STAT3TOP2AKDM4EHPGD
SCHEMBL9509563 0.73 TOP1 (0.40) TOP1STAT3TOP2AKDM4EHPGD

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-0563732-A1 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazinecarboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP disclosed