SCHEMBL9748530

SCHEMBL9748530

CC(F)n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TOP1 P11387 1/20 0.42
TOP2A P11388 5/20 0.42
TOP2B Q02880 5/20 0.42
PIM1 P11309 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KCNH2 Q12809 1/20 0.39
STAT3 P40763 2/20 0.39
ADRA2B P18089 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
PMP22 Q01453 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10654313 0.90 KDM4E (0.48) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10542756 0.86 KDM4E (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL28411452 0.86 KDM4E (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10548946 0.86 KDM4E (0.45) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10654436 0.80 KDM4E (0.51) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9749468 0.80 KCNH2 (0.51) KDM4EALDH1A1POLBTOP2ATOP2B
SCHEMBL8733645 0.80 KDM4E (0.43) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL6213203 0.77 KDM4E (0.51) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL12917092 0.77 KCNH2 (0.46) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL500816 0.77 KDM4E (0.61) KDM4EALDH1A1POLBHSP90AA1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
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