SCHEMBL9560217

SCHEMBL9560217

CC1=Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNC(C)C4)c(c32)O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 5/20 0.62
HSD17B10 Q99714 5/20 0.62
PMP22 Q01453 1/20 0.61
POLB P06746 2/20 0.58
PRKD3 O94806 1/20 0.58
ALOX15 P16050 1/20 0.58
OPRM1 P35372 1/20 0.58
CLK2 P49760 1/20 0.58
KCNH2 Q12809 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TOP2A P11388 10/20 0.47
TOP2B Q02880 7/20 0.47
TOP1 P11387 3/20 0.47
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
AADAT Q8N5Z0 2/20 0.46
TUBB4A P04350 1/20 0.46

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
SCHEMBL9560219 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9560791 0.89 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9560445 0.85 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9512148 0.83 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9510209 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9513029 0.80 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10931342 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9569183 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10653699 0.79 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10574612 0.79 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10PMP22

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