SCHEMBL9534556

SCHEMBL9534556

CC(=O)CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.79
HPGD P15428 5/20 0.54
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 4/20 0.54
ALB P02768 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TUBB4A P04350 1/20 0.53
POLB P06746 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
SLC47A1 Q96FL8 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53

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
SCHEMBL10563935 0.94 KDM4E (0.81) KDM4EHPGDHSD17B10ALDH1A1ALB
SCHEMBL10557702 0.92 KDM4E (0.78) KDM4EHPGDHSD17B10ALDH1A1ALB
SCHEMBL12637996 0.92 KDM4E (0.94) KDM4EHPGDHSD17B10ALDH1A1ALB
SCHEMBL10561493 0.91 KDM4E (0.82) KDM4EHPGDHSD17B10ALDH1A1ALB
SCHEMBL10700294 0.91 KDM4E (0.82) KDM4EHPGDHSD17B10ALDH1A1ALB
SCHEMBL10562352 0.90 KDM4E (0.81) KDM4EHPGDHSD17B10ALDH1A1ALB
SCHEMBL10563510 0.90 KDM4E (0.81) KDM4EHPGDHSD17B10ALDH1A1ALB
SCHEMBL10562234 0.89 KDM4E (0.73) KDM4EHPGDHSD17B10ALDH1A1ALB
Marbofloxacin SCHEMBL134860 0.89 KDM4E (1.00) KDM4EHPGDHSD17B10ALDH1A1ALB
Marbofloxacin SCHEMBL29355042 0.89 KDM4E (1.00) KDM4EHPGDHSD17B10ALDH1A1ALB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801584-A ANTIMICROBIAL HOFFMANN-LA ROCHE INC. (US) 1989-01-31 US claimed
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
EP-0259804-B1 Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process HOFFMANN LA ROCHE (CH) 1993-11-18 EP disclosed
US-4864023-A MICROBIOCIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed
US-4801584-A ANTIMICROBIAL HOFFMANN-LA ROCHE INC. (US) 1989-01-31 US disclosed