Trovafloxacin

Trovafloxacin

SCHEMBL373984

NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.N[C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

gyrAgyrBparCparE

The experimentally established mechanism targets of Trovafloxacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.90
EPHA2 P29317 1/20 0.87
FLT4 P35916 1/20 0.87
GSK3B P49841 1/20 0.87
RARB P10826 1/20 0.87
TBXAS1 P24557 1/20 0.87
SLC6A3 Q01959 1/20 0.87
KDM4E B2RXH2 1/20 0.79
ALDH1A1 P00352 1/20 0.79
LMNA P02545 1/20 0.79
POLB P06746 1/20 0.79
HPGD P15428 1/20 0.79
XBP1 P17861 1/20 0.79
NFKB1 P19838 1/20 0.79
HTT P42858 1/20 0.79
NFKB2 Q00653 1/20 0.79
RELA Q04206 1/20 0.79
HSD17B10 Q99714 1/20 0.79
DPP4 P27487 4/20 0.51
TOP2A P11388 11/20 0.48

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
Tosufloxacin SCHEMBL34355 0.95 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL29383684 0.95 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL9323984 0.95 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL34354 0.95 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9180975 0.94 EPHA2 (0.88) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9180983 0.94 EPHA2 (0.88) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9180985 0.94 EPHA2 (0.88) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL9691106 0.94 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL19149806 0.94 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL3754459 0.94 KMT2A (0.98) KMT2AEPHA2FLT4GSK3BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 EP disclosed
EP-2409702-A1 Combination of siloxane and active ingredient for treating dental disorder of hard tissues Bayer Innovation GmbH (DE) 2012-01-25 EP disclosed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 WO disclosed