Trovafloxacin10

Trovafloxacin10

SCHEMBL9852769

NCC12C[C@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.59
CHRM2 P08172 1/20 0.59
DRD1 P21728 1/20 0.59
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ABCC4 O15439 1/20 0.55
HSD17B10 Q99714 1/20 0.55
DHFR P00374 1/20 0.48
KCNH2 Q12809 2/20 0.48
KMT2A Q03164 1/20 0.46
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
GSK3B P49841 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
CYP2C9 P11712 1/20 0.44
ATP6V1B2 P21281 1/20 0.44

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
Trovafloxacin10 SCHEMBL9178909 1.00 DPP4 (0.59) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9181756 0.86 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9182408 0.83 DPP4 (0.51) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9184745 0.83 EPHA2 (0.68) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9066532 0.82 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL27484168 0.82 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9066828 0.82 DPP4 (0.61) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL28745952 0.82 DPP4 (0.63) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL9185272 0.82 KDM4E (0.60) LMNAKDM4EHSD17B10KCNH2TOP2A
Hydrochloric Acid SCHEMBL27521147 0.82 DPP4 (0.62) DPP4CHRM2DRD1LMNAKDM4E

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-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed