SCHEMBL9513029

SCHEMBL9513029

CC1=Cn2cc(C(=O)O)c(=O)c3cc(F)c(F)c(c32)O1.CC1=Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)c(c32)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.57
HPGD P15428 4/20 0.57
HSD17B10 Q99714 3/20 0.57
ALB P02768 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
TOP2A P11388 6/20 0.56
TOP1 P11387 4/20 0.56
TUBB4A P04350 1/20 0.56
POLB P06746 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56

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
SCHEMBL9512148 0.96 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9513032 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9509708 0.87 TOP1 (0.52) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9512154 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9509737 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9560217 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9513066 0.78 TOP2A (0.59) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL30114800 0.76 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9461276 0.75 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10668369 0.75 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10ALB

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