SCHEMBL9560446

SCHEMBL9560446

CC1CN(c2c(F)cc3c(=O)c(OC(=O)O)cn4c3c2OC=C4)CCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 5/20 0.52
PMP22 Q01453 1/20 0.51
POLB P06746 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
OPRM1 P35372 1/20 0.51
CLK2 P49760 1/20 0.51
KCNH2 Q12809 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AADAT Q8N5Z0 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL9560215 0.90 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9560445 0.88 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9560549 0.87 TOP2A (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9560219 0.86 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9510219 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9560796 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9509742 0.83 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL9569168 0.83 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10654568 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10706600 0.81 KDM4E (0.61) 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