SCHEMBL9748119

SCHEMBL9748119

COn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CC3CN4C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
DRD3 P35462 1/20 0.44
HSD17B10 Q99714 5/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
TOP2A P11388 1/20 0.43
CYP2C9 P11712 1/20 0.43
TOP2B Q02880 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 3/20 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
SCHEMBL9749228 0.93 ALDH1A1 (0.48) KDM4EALDH1A1DRD3HSD17B10LMNA
Danofloxacin SCHEMBL149627 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10LMNAHPGD
Danofloxacin SCHEMBL10073753 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10LMNAHPGD
Danofloxacin SCHEMBL9669908 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10LMNAHPGD
Danofloxacin SCHEMBL29658817 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10LMNAHPGD
Danofloxacin SCHEMBL16518619 0.85 KDM4E (0.62) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL9749598 0.84 DRD3 (0.64) KDM4EALDH1A1DRD3HSD17B10LMNA
SCHEMBL9750333 0.84 KDM4E (0.44) KDM4EALDH1A1DRD3HSD17B10LMNA
Danofloxacin SCHEMBL28372629 0.84 KDM4E (0.61) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL9750291 0.82 ALDH1A1 (0.48) KDM4EALDH1A1DRD3HSD17B10LMNA

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-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed