SCHEMBL9560653

SCHEMBL9560653

CCOC(=O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OC=C2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.40
TOP1 P11387 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ADRB2 P07550 1/20 0.32
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
PIM1 P11309 1/20 0.31
KCNH2 Q12809 1/20 0.31
CUL4A Q13619 2/20 0.31
TYMS P04818 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL10762656 0.89 STAT3 (0.42) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9560481 0.87 STAT3 (0.41) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9560484 0.86 TOP1 (0.41) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9569165 0.83 STAT3 (0.38) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9569181 0.81 STAT3 (0.38) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9560614 0.81 STAT3 (0.42) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9569144 0.79 STAT3 (0.40) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9569146 0.79 CYP19A1 (0.35) STAT3CNR1CNR2KMT2AKDM4E
SCHEMBL9560518 0.78 STAT3 (0.37) STAT3TOP1CNR1CNR2KMT2A
SCHEMBL9560616 0.76 STAT3 (0.38) STAT3TOP1CNR1CNR2KMT2A

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