SCHEMBL9534573

SCHEMBL9534573

CN1COc2c(N3CCC(N)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
TOP2A P11388 15/20 0.61
TOP2B Q02880 10/20 0.61
TOP1 P11387 3/20 0.60
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRM1 P35372 1/20 0.58
OPRD1 P41143 1/20 0.58
ALB P02768 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
Hydrochloric Acid SCHEMBL10561141 0.99 KDM4E (0.72) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL10697628 0.94 KDM4E (0.79) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL13359841 0.90 KDM4E (0.75) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL9534237 0.90 KDM4E (0.75) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL9533275 0.90 KDM4E (0.75) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL10561269 0.89 KDM4E (0.58) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL9534692 0.89 KDM4E (0.70) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL9533217 0.88 KDM4E (0.72) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL9534568 0.88 KDM4E (0.80) KDM4ETOP2ATOP2BTOP1ALDH1A1
SCHEMBL10565230 0.88 KDM4E (0.71) 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 7 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
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
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