SCHEMBL10697628

SCHEMBL10697628

CN1COc2c(N3CCC(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.79
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALB P02768 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
AADAT Q8N5Z0 2/20 0.54
POLB P06746 2/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
SLC47A1 Q96FL8 1/20 0.54

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
SCHEMBL9534573 0.94 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL10561141 0.94 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9534568 0.91 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL12637996 0.91 KDM4E (0.94) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10562590 0.90 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9533325 0.90 KDM4E (0.78) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10560100 0.89 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10ALB
Marbofloxacin SCHEMBL29355042 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10ALB
Marbofloxacin SCHEMBL134860 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL3286579 0.88 KDM4E (0.75) 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-0259804-A2 Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process F. HOFFMANN-LA ROCHE AG (CH) 1988-03-16 EP claimed