SCHEMBL9560176

SCHEMBL9560176

CCC1=COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(OC(=O)O)cn1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
TOP1 P11387 4/20 0.47
TOP2A P11388 4/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 3/20 0.47
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TUBB4A P04350 1/20 0.47
POLB P06746 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47

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
SCHEMBL9560260 0.91 TOP2A (0.46) KDM4ETOP1TOP2AALDH1A1HPGD
SCHEMBL9512776 0.88 KDM4E (0.51) KDM4ETOP1TOP2AALDH1A1HPGD
SCHEMBL9513068 0.85 KDM4E (0.48) KDM4ETOP1TOP2AALDH1A1HPGD
SCHEMBL9560449 0.83 TOP1 (0.39) KDM4ETOP1TOP2AALDH1A1HPGD
SCHEMBL9560809 0.82 KDM4E (0.41) KDM4ETOP1TOP2AALDH1A1HPGD
SCHEMBL9509742 0.81 KDM4E (0.52) KDM4ETOP1TOP2AALDH1A1HPGD
SCHEMBL9560636 0.80 ALDH1A1 (0.41) KDM4ETOP1TOP2AALDH1A1HPGD
SCHEMBL9569171 0.78 TOP2A (0.51) TOP1TOP2ATOP2B
SCHEMBL7820756 0.78 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9513019 0.78 TOP2A (0.49) KDM4ETOP1TOP2AALDH1A1HPGD

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