Alatrofloxacin

Alatrofloxacin

SCHEMBL8186971

CS(=O)(=O)O.CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

gyrAgyrBparCparE

The experimentally established mechanism targets of Alatrofloxacin. 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
▸ LMNA P02545 5/20 0.73
▸ KDM4E B2RXH2 4/20 0.73
▸ HSD17B10 Q99714 3/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ HPGD P15428 3/20 0.73
▸ POLB P06746 1/20 0.73
▸ XBP1 P17861 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ HTT P42858 1/20 0.73
▸ NFKB2 Q00653 1/20 0.73
▸ RELA Q04206 1/20 0.73
▸ EPHA2 P29317 1/20 0.65
▸ FLT4 P35916 1/20 0.65
▸ GSK3B P49841 1/20 0.65
▸ RARB P10826 1/20 0.65
▸ TBXAS1 P24557 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65
▸ KMT2A Q03164 3/20 0.57
▸ DPP4 P27487 6/20 0.42
▸ ABCC4 O15439 1/20 0.41

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
Alatrofloxacin SCHEMBL41134 1.00 LMNA (0.73) LMNAKDM4EHSD17B10ALDH1A1HPGD
Alatrofloxacin SCHEMBL29389843 1.00 LMNA (0.73) LMNAKDM4EHSD17B10ALDH1A1HPGD
Alatrofloxacin SCHEMBL7616277 0.97 EPHA2 (0.69) LMNAKDM4EHSD17B10ALDH1A1HPGD
Alatrofloxacin SCHEMBL7618000 0.97 EPHA2 (0.69) LMNAKDM4EHSD17B10ALDH1A1HPGD
Alatrofloxacin SCHEMBL29493446 0.97 EPHA2 (0.69) LMNAKDM4EHSD17B10ALDH1A1HPGD
Alatrofloxacin SCHEMBL140567 0.97 EPHA2 (0.69) LMNAKDM4EHSD17B10ALDH1A1HPGD
Alatrofloxacin SCHEMBL7101443 0.97 EPHA2 (0.69) LMNAKDM4EHSD17B10ALDH1A1HPGD
Alatrofloxacin SCHEMBL28214885 0.94 EPHA2 (0.75) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6848316 0.94 EPHA2 (0.65) LMNAKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9735079 0.92 EPHA2 (0.74) LMNAKDM4EHSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000086-A1 ALATROFLOXACIN PARENTERAL COMPOSITIONS Pfizer Products Inc. (US) 2000-05-17 — — EP disclosed
WO-1999006430-A1 ALATROFLOXACIN PARENTERAL COMPOSITIONS PFIZER PRODUCTS INC. (US) 1999-02-11 — — WO disclosed
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