SCHEMBL8899520

SCHEMBL8899520

CC1CN(c2cc3c(cc2F)c(=O)c(OC(=O)O)cn3-c2ccc(F)cc2F)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 8/20 0.48
HPGD P15428 7/20 0.48
HSD17B10 Q99714 7/20 0.48
LMNA P02545 5/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PMP22 Q01453 1/20 0.42
KCNH2 Q12809 2/20 0.42
POLB P06746 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
TOP2A P11388 1/20 0.42

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
SCHEMBL9046101 0.92 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
Temafloxacin SCHEMBL134294 0.89 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
Temafloxacin SCHEMBL20769825 0.89 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
(S)-Temafloxacin SCHEMBL48096 0.89 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
Temafloxacin SCHEMBL29414891 0.89 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
Temafloxacin SCHEMBL48095 0.89 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
Temafloxacin SCHEMBL134293 0.88 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
(S)-Temafloxacin SCHEMBL9667109 0.88 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
Temafloxacin SCHEMBL9667105 0.88 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
Temafloxacin SCHEMBL2637551 0.88 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA

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-0507851-B1 QUINOLONE CARBOXYLIC ACID--METAL ION--ACID COMPLEXES ABBOTT LAB (US) 1997-04-02 EP claimed
EP-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 EP disclosed
EP-0422485-A2 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP disclosed