SCHEMBL9513068

SCHEMBL9513068

CC1=COc2c(F)c(F)cc3c(=O)c(OC(=O)O)cn1c23.CC1=COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
TOP2A P11388 6/20 0.47
TOP1 P11387 4/20 0.47
HPGD P15428 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TUBB4A P04350 1/20 0.46
POLB P06746 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 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
SCHEMBL9512776 0.96 KDM4E (0.51) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9513066 0.89 TOP2A (0.59) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9513057 0.88 TOP1 (0.41) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9560809 0.86 KDM4E (0.41) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9513019 0.86 TOP2A (0.49) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9569172 0.86 TOP2A (0.43) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9461276 0.85 KDM4E (0.62) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9560636 0.85 ALDH1A1 (0.41) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9560176 0.85 KDM4E (0.49) KDM4ETOP2ATOP1HPGDALDH1A1
SCHEMBL9569180 0.83 TOP2A (0.42) KDM4ETOP2ATOP1HPGDALDH1A1

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-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP disclosed