SCHEMBL9533983

SCHEMBL9533983

CN1COc2c(N3CCNCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.82
TOP2A P11388 5/20 0.57
TOP2B Q02880 3/20 0.57
TOP1 P11387 3/20 0.56
ALDH1A1 P00352 6/20 0.55
HPGD P15428 6/20 0.55
HSD17B10 Q99714 6/20 0.55
ALB P02768 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
TUBB4A P04350 1/20 0.54
POLB P06746 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

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
SCHEMBL12637996 0.93 KDM4E (0.94) KDM4ETOP2ATOP2BTOP1ALDH1A1
Marbofloxacin SCHEMBL134860 0.90 KDM4E (1.00) KDM4ETOP2ATOP2BTOP1ALDH1A1
Marbofloxacin SCHEMBL29355042 0.90 KDM4E (1.00) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL9533821 0.89 KDM4E (0.83) KDM4ETOP2ATOP2BTOP1ALDH1A1
Marbofloxacin SCHEMBL10563057 0.89 KDM4E (0.98) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL10565366 0.89 KDM4E (0.73) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL10564993 0.88 KDM4E (0.82) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL10574612 0.88 KDM4E (0.72) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL12665530 0.87 KDM4E (0.84) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL9534568 0.87 KDM4E (0.80) KDM4ETOP2ATOP2BTOP1ALDH1A1

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
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 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
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 disclosed