SCHEMBL6858077

SCHEMBL6858077

NCCCC[C@H](N)C(=O)c1c(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc2n1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
LMNA P02545 5/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
CYP1A2 P05177 1/20 0.51
TOP2A P11388 1/20 0.51
CYP2C9 P11712 1/20 0.51
TOP2B Q02880 1/20 0.51
BRD4 O60885 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PRKD3 O94806 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
RPS6KA3 P51812 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
SCHEMBL6864507 0.93 KDM4E (0.50) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6864144 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6863234 0.85 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30686874 0.84 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL2325216 0.79 KDM4E (0.75) ALDH1A1KDM4ELMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL2325212 0.79 KDM4E (0.75) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL30866391 0.78 KDM4E (0.63) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL6703755 0.78 KDM4E (0.62) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL3673753 0.76 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL2764444 0.75 KDM4E (0.59) ALDH1A1KDM4ELMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083881-B1 LIPOSOME COMPOSITIONs containing a quinolone derivative AND their use as antibacterial agents ALZA CORP (US) 2004-08-25 EP disclosed
EP-1083881-A2 LIPOSOME COMPOSITION AND METHOD FOR ADMINISTERING A QUINOLONE ALZA Corporation (US) 2001-03-21 EP disclosed
US-5972379-A LIPOSOMES HAVING A SURFACE COATING OF HYDROPHILIC POLYMER CHAINS AND AN ENTRAPPED CIPROFLOXACIN-AMINO ACID CONJUGATE, USEFUL FOR TREATING THE BACTERIAL INFECTIONS SEQUUS PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
WO-1999051202-A2 QUINOLONE CONTAINING LIPOSOMES AND THEIR USE AS ANTIBACTERIAL AGENTS SEQUUS PHARMACEUTICALS, INC. (US) 1999-10-14 WO disclosed