SCHEMBL4629781

SCHEMBL4629781

CCOC(=O)C1CNCCN1c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 4/20 0.63
LMNA P02545 3/20 0.63
HPGD P15428 3/20 0.63
CYP1A2 P05177 1/20 0.63
TOP2A P11388 1/20 0.63
CYP2C9 P11712 1/20 0.63
TOP2B Q02880 1/20 0.63
MAPT P10636 1/20 0.58
BRD4 O60885 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CYP2J2 P51589 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PIK3CG P48736 5/20 0.48
PIK3CD O00329 3/20 0.48
PIK3R1 P27986 3/20 0.48
PIK3CA P42336 3/20 0.48
HRH3 Q9Y5N1 1/20 0.46

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
Iodide SCHEMBL9805908 0.85 KDM4E (0.68) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL11112093 0.83 KDM4E (0.63) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL22579210 0.82 KDM4E (0.72) KDM4EALDH1A1HSD17B10LMNAHPGD
Ciprofloxacin SCHEMBL28061283 0.81 KDM4E (0.89) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL9678335 0.80 KDM4E (0.66) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL28022274 0.80 KDM4E (0.61) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL10670664 0.78 MEN1 (0.56) KDM4EALDH1A1HSD17B10LMNAHPGD
Ciprofloxacin SCHEMBL28201587 0.78 KDM4E (0.96) KDM4EALDH1A1HSD17B10LMNAHPGD
Ciprofloxacin SCHEMBL4459712 0.78 KDM4E (1.00) KDM4EALDH1A1HSD17B10LMNAHPGD
Ciprofloxacin SCHEMBL2900 0.78 KDM4E (1.00) KDM4EALDH1A1HSD17B10LMNAHPGD

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-1711468-B1 PROCESS FOR PREPARING PURIFIED CIPROFLOXACIN KRKA TOVARNA ZDRAVIL D D NOVO (SI) 2008-05-14 EP disclosed
EP-1711468-A1 PROCESS FOR PREPARING PURIFIED CIPROFLOXACIN KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2006-10-18 EP disclosed
WO-2005075430-A1 PROCESS FOR PREPARING PURIFIED CIPROFLOXACIN KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2005-08-18 WO disclosed