SCHEMBL9560461

SCHEMBL9560461

CCCCOC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC=C4)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
AADAT Q8N5Z0 2/20 0.44
TUBB4A P04350 1/20 0.44
POLB P06746 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
SLC47A1 Q96FL8 1/20 0.44

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
SCHEMBL9560462 0.90 KDM4E (0.37) KDM4EHSD17B10ALDH1A1HPGDALB
SCHEMBL9509737 0.82 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDALB
SCHEMBL9560547 0.78 TOP2A (0.58) KDM4EHSD17B10ALDH1A1HPGDALB
SCHEMBL9560633 0.78 TOP2A (0.49) KDM4EHSD17B10ALDH1A1HPGDALB
SCHEMBL9560213 0.74 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDALB
SCHEMBL9560445 0.74 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDALB
SCHEMBL9509742 0.72 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDALB
SCHEMBL11010069 0.71 KDM4E (0.71) KDM4EHSD17B10ALDH1A1HPGDHRH3
SCHEMBL10373633 0.70 HPGD (0.60) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL9560636 0.70 ALDH1A1 (0.41) KDM4EHSD17B10ALDH1A1HPGDALB

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